SCHEMBL31174792

SCHEMBL31174792

O=Cc1ncn(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AADAT Q8N5Z0 1/20 0.40
BRD9 Q9H8M2 1/20 0.40

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
SCHEMBL28586149 1.00 NOTUM (0.51) NOTUMHTTEPHX2ALDH1A1MEN1
SCHEMBL28600058 0.81 KEAP1 (0.44) NOTUMALDH1A1POLBGAAMAPT
SCHEMBL31174786 0.81 KEAP1 (0.44) NOTUMALDH1A1POLBGAAMAPT
SCHEMBL22897566 0.78 NOTUM (0.55) NOTUMHTTEPHX2ALDH1A1MAPT
SCHEMBL20320415 0.78 NOTUM (0.55) NOTUMHTTEPHX2ALDH1A1POLB
SCHEMBL10360314 0.78 EPHX2 (0.56) NOTUMHTTEPHX2ALDH1A1MEN1
SCHEMBL44807 0.78 NOTUM (0.55) NOTUMHTTEPHX2ALDH1A1MEN1
SCHEMBL21816148 0.76 P2RX7 (0.46) NOTUMALDH1A1MEN1POLBMAPT
SCHEMBL21816146 0.76 KMT2A (0.55) NOTUMHTTEPHX2ALDH1A1MEN1
SCHEMBL18003702 0.75 ALDH1A1 (0.55) NOTUMHTTEPHX2ALDH1A1MEN1

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-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed