SCHEMBL31521754

SCHEMBL31521754

COC(=O)c1cnc(-c2cncnc2OC)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ CYP17A1 P05093 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL30816561 0.88 ALDH1A1 (0.44) GAACYP17A1KDM4EALDH1A1RAB9A
SCHEMBL31521740 0.80 MAPK1 (0.42) GAACYP17A1CSNK2A1KDM4EALDH1A1
SCHEMBL31521747 0.80 CYP17A1 (0.39) CYP17A1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3518155 0.75 KDM4E (0.42) GAACYP17A1CSNK2A1KDM4EALDH1A1
SCHEMBL22791669 0.73 ALDH1A1 (0.43) GAACSNK2A1KDM4EALDH1A1GLA
SCHEMBL29092970 0.73 CYP17A1 (0.39) GAACYP17A1KDM4EATMMAPT
SCHEMBL20529561 0.72 KDM4E (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL30816598 0.72 NNMT (0.45) CYP17A1SMN1; SMN2RORC
SCHEMBL8552983 0.70 GAA (0.45) GAAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8590367 0.70 RAB9A (0.47) GAAKDM4EALDH1A1GLARAB9A

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
CN-119836421-A USP1 inhibitors and uses thereof 森韬医药美国公司 2025-04-15 — — CN disclosed
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