SCHEMBL31607643

SCHEMBL31607643

Cc1ccc(-c2cccc(N)c2)c(C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAOA P21397 1/20 0.45
MAP4K4 O95819 4/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GFER P55789 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
RECQL P46063 2/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL31174707 1.00 POLB (0.57) POLBMAOAMAP4K4ALDH1A1KDM4E
SCHEMBL3784883 1.00 POLB (0.57) POLBMAOAMAP4K4ALDH1A1KDM4E
SCHEMBL31607626 0.85 MAOA (0.45) POLBMAOAMAP4K4ALDH1A1NPC1
SCHEMBL31607612 0.85 MAOA (0.45) POLBMAOAMAP4K4ALDH1A1NPC1
SCHEMBL3784859 0.85 MAOA (0.45) POLBMAOAMAP4K4ALDH1A1NPC1
SCHEMBL9677424 0.82 PLA2G7 (0.52) MAOAMAP4K4ALDH1A1BRD4RECQL
SCHEMBL28327124 0.82 MAOA (0.42) MAOAMAP4K4ALDH1A1KDM4EMAPT
SCHEMBL3781453 0.81 MAP4K4 (0.50) MAOAMAP4K4ALDH1A1KDM4ENPC1
SCHEMBL10935618 0.80 POLB (0.67) POLBALDH1A1KDM4ENPC1MAPT
SCHEMBL3789628 0.79 MAOA (0.47) MAOAMAP4K4ALDH1A1KDM4ENPC1

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-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN claimed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN disclosed