SCHEMBL31629068

SCHEMBL31629068

Cc1ccc2cnccc2c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.61
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
PIM1 P11309 2/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL15201623 1.00 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL21050856 0.84 IMPDH2 (0.43) IMPDH2KDM4ECYP1A2HTTPIM1
SCHEMBL29751463 0.84 IMPDH2 (0.43) IMPDH2KDM4ECYP1A2HTTPIM1
SCHEMBL8404560 0.79 CYP1A2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL5492573 0.76 IMPDH2 (0.43) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL4829442 0.76 IMPDH2 (0.52) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL15047872 0.76 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL13075204 0.76 IMPDH2 (0.43) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL25217587 0.76 IMPDH2 (0.52) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL1705663 0.76 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4

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-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed