SCHEMBL9876007

SCHEMBL9876007

Sc1ncc[nH]1.c1ccc2c(-c3ccncc3)c3ccccc3nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 3/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9875902 0.93 ESR1 (0.49) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL9875363 0.85 F2 (0.45) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL9876002 0.81 LMNA (0.44) ALDH1A1MAPTHPGDALOX15KDM4E
SCHEMBL29488279 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL9601498 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL9875643 0.80 METAP2 (0.48) ALDH1A1MAPTHPGDKDM4EMEN1
Phenazine SCHEMBL29069909 0.79 MAPT (0.46) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL9876096 0.79 AR (0.40) ALDH1A1MAPTHPGDHSD17B10ALOX15
Quinoline SCHEMBL28162881 0.70 ALDH1A1 (0.61) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL29514776 0.70 ESR1 (0.73) ESR1ESR2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045433-A Photopolymerization initiators HITACHI CHEMICAL CO., LTD. (JP) 1991-09-03 US disclosed