SCHEMBL5493577

SCHEMBL5493577

Nc1ccccc1Cc1ncc2[nH]cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CDK2 P24941 3/20 0.43
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CDK1 P06493 3/20 0.35
CCNB1 P14635 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
AR P10275 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PIN1 Q13526 2/20 0.34
POLA1 P09884 1/20 0.34
SCD O00767 1/20 0.34
PAK1 Q13153 1/20 0.33
HTR2C P28335 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL629988 0.79 PDE4A (0.52) ALDH1A1CDK2KDM4ERXFP1CDK1
SCHEMBL5493566 0.77 HTR2C (0.35) ALDH1A1KDM4EARHTR2CHTR2B
SCHEMBL11200783 0.73 ALDH1A1 (0.58) ALDH1A1CDK2KDM4ERXFP1CDK1
SCHEMBL8332578 0.72 CDK2 (0.50) ALDH1A1CDK2KDM4ECDK1CCNB1
Water SCHEMBL28488923 0.72 ALDH1A1 (0.56) ALDH1A1CDK2KDM4ERXFP1CDK1
SCHEMBL10602621 0.71 CDK2 (0.49) ALDH1A1CDK2KDM4ERXFP1CDK1
SCHEMBL5138814 0.70 ALDH1A1 (0.53) ALDH1A1CDK2KDM4ERXFP1CDK1
Iodide SCHEMBL28673351 0.69 ALDH1A1 (0.53) ALDH1A1CDK2KDM4ERXFP1CDK1
SCHEMBL10840624 0.68 AR (0.44) ALDH1A1ARATP4AATP4BCYP1A2
2-Aminopurine SCHEMBL6056061 0.68 ALDH1A1 (0.92) ALDH1A1CDK2KDM4ERXFP1CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113564052-B Microalgae directional culture solution and application thereof, device for preparing sludge hydrolysate and device for directionally culturing and enriching biomass microalgae 华东理工大学 2024-04-26 CN claimed
CN-113564052-A Microalgae directional culture solution and application thereof, device for preparing sludge hydrolysate and device for directionally culturing biomass-enriched microalgae 华东理工大学 2021-10-29 CN claimed
EP-1235921-B1 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO TECHNOLOGY LLC (US) 2007-03-14 EP claimed
EP-1235921-A2 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO COMPANY (US) 2002-09-04 EP claimed
US-20010042257-A1 Sugarbeet regeneration and transformation MONSANTO TECHNOLOGY LLC 2001-11-15 US claimed
WO-2001042480-A2 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO TECHNOLOGY LLC (US) 2001-06-14 WO claimed
CN-113564052-B Microalgae directional culture solution and application thereof, device for preparing sludge hydrolysate and device for directionally culturing and enriching biomass microalgae 华东理工大学 2024-04-26 CN disclosed
CN-113564052-A Microalgae directional culture solution and application thereof, device for preparing sludge hydrolysate and device for directionally culturing biomass-enriched microalgae 华东理工大学 2021-10-29 CN disclosed
CN-106857259-B Method for constructing high-frequency regeneration system of cotyledon of plane barberry and application of high-frequency regeneration system 华中农业大学 2020-01-10 CN disclosed
CN-106857259-A A kind of method for building Platanus acerifolia cotyledon high frequency regenerating system and its application 华中农业大学 2017-06-20 CN disclosed
EP-1235921-B1 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO TECHNOLOGY LLC (US) 2007-03-14 EP disclosed
EP-1235921-A2 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO COMPANY (US) 2002-09-04 EP disclosed
US-20010042257-A1 Sugarbeet regeneration and transformation MONSANTO TECHNOLOGY LLC 2001-11-15 US disclosed
WO-2001042480-A2 SUGARBEET REGENERATION AND TRANSFORMATION MONSANTO TECHNOLOGY LLC (US) 2001-06-14 WO disclosed