SCHEMBL22792292

SCHEMBL22792292

COc1cncc(NCc2cccc(Br)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAOB P27338 1/20 0.42
APP P05067 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL22792194 0.86 TSHR (0.50) ALOX15MAPK1TSHRALDH1A1HPGD
SCHEMBL22792188 0.84 BRAF (0.53) PDGFRBPDGFRACLK4ADORA2A
SCHEMBL22792290 0.83 MEN1 (0.48) MAPK1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22791987 0.81 VNN1 (0.49) ALOX15MAPK1TSHRALDH1A1HPGD
SCHEMBL22792283 0.81 MEN1 (0.39) TSHRALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22792002 0.80 PTGS2 (0.51) TSHRALDH1A1
SCHEMBL22792621 0.80 CYP1A2 (0.54) ALOX15MAPK1TSHRALDH1A1HPGD
SCHEMBL22792315 0.79 CA1 (0.43) FYN
SCHEMBL22792671 0.79 VNN1 (0.47)
SCHEMBL14416668 0.76 CLK4 (0.51) HPGDLMNAMAPTCLK4MEN1

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
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed