SCHEMBL31556446

SCHEMBL31556446

CCOC(=O)c1cnc2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ATM Q13315 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ PKN1 Q16512 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ IMPDH2 P12268 1/20 0.43

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
SCHEMBL31556445 1.00 MAOB (0.47) MAOBCYP2C9CYP2C19ATMKMT2A
SCHEMBL2671386 0.84 PIK3C3 (0.47) ATMKMT2AKDM4EALDH1A1NPC1
SCHEMBL31194372 0.83 BRD4 (0.43) MAOBATMKMT2AKDM4EALDH1A1
SCHEMBL13387026 0.81 TDP1 (0.51) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL4410049 0.81 PIK3C3 (0.44) KDM4EALDH1A1HPGDRAB9APOLB
SCHEMBL28869904 0.81 PKN1 (0.50) MAOBCYP2C9CYP2C19ATMKMT2A
SCHEMBL12709594 0.79 PIK3C3 (0.50) KMT2AKDM4EALDH1A1HPGDMAOA
SCHEMBL31194336 0.79 PIK3C3 (0.50) KMT2AKDM4EALDH1A1HPGDMAOA
SCHEMBL1965011 0.78 KMT2A (0.65) ATMKMT2AKDM4EALDH1A1HPGD
SCHEMBL30447626 0.78 KMT2A (0.65) ATMKMT2AKDM4EALDH1A1HPGD

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-2025068354-A1 SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-04-03 — — WO disclosed
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