SCHEMBL29067546

SCHEMBL29067546

C=CC(CO)Nc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CXCL8 P10145 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

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
SCHEMBL29067537 0.79 MAPT (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29067530 0.79 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29067527 0.78 NPC1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29067534 0.77 CA12 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL26022265 0.76 KMT2A (0.47) KCNQ2MEN1KMT2AKDM4EALDH1A1
SCHEMBL29067526 0.76 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL29067518 0.74 TDP1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29067532 0.73 GAA (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29067540 0.71 MEN1 (0.37) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL12067407 0.70 GSTO1 (0.58) MEN1KMT2AALDH1A1CYP1A2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462598-B Allyl arylamine compound and preparation method and application thereof 成都市第二人民医院 2024-08-09 — — CN disclosed
CN-116462598-A Allyl arylamine compound and preparation method and application thereof 成都市第二人民医院 2023-07-21 — — CN disclosed
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