SCHEMBL10330635

SCHEMBL10330635

C=C(C)c1cccc(NC)c1C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
CLCN2 P51788 1/20 0.35
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRBN Q96SW2 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EGFR P00533 1/20 0.32
PABPC1 P11940 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL20686097 0.87 POLB (0.44) POLBKDM4EATMCLCN2CYP2C19
SCHEMBL23843894 0.82 CLCN2 (0.34) POLBCLCN2CYP2C19RAB9ASMN1; SMN2
SCHEMBL8574363 0.81 POLB (0.53) POLBKDM4EATMCLCN2CYP2C19
SCHEMBL329566 0.80 THRB (0.33) CLCN2NPC1
SCHEMBL18888182 0.80 ALDH1A1 (0.38) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL22927509 0.80 KDM4E (0.40) POLBKDM4EATMCLCN2CYP2C19
Hydrochloric Acid SCHEMBL28447296 0.79 POLB (0.52) POLBKDM4EATMCLCN2CYP2C19
SCHEMBL10222679 0.74 KDM4E (0.36) POLBKDM4EATMCLCN2
SCHEMBL3695608 0.72 THRB (0.48) POLBKDM4EATMALDH1A1HPGD
SCHEMBL9272886 0.72 ALDH1A1 (0.39) KDM4EATMALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087069-B1 COMPOUNDS USEFUL AS CCR9 MODULATORS NORGINE BV (NL) 2019-01-30 EP disclosed
US-8221657-B2 Near infrared absorbing phthalocyanines and their use BASF SE (DE) 2012-07-17 US disclosed
US-20110236642-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE PERI FRANCESCA 2011-09-29 US disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed