SCHEMBL31329987

SCHEMBL31329987

Cc1cc(Cl)c(I)c(/N=C\NO)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31329797 0.77 CYP3A4 (0.39) CYP2C9CYP2D6CYP3A4
SCHEMBL31329836 0.76 KMT2A (0.40) GAASMN1; SMN2POLBMAPTRAB9A
SCHEMBL31329976 0.71 CYP2C9 (0.38) CYP2C9CYP2D6CYP3A4SMN1; SMN2MAPT
SCHEMBL31329947 0.66 CYP2C9 (0.39) CYP2C9CYP2D6CYP3A4GAASMN1; SMN2
SCHEMBL26709437 0.66 LMNA (0.39) SMN1; SMN2POLBMAPTRAB9A
SCHEMBL26608375 0.66 ALDH1A1 (0.41) GAASMN1; SMN2POLBMAPT
SCHEMBL31330161 0.65 ALDH1A1 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL31330045 0.63 KDM4E (0.38) CYP3A4POLBMAPTRAB9A
SCHEMBL31330044 0.63 KDM4E (0.38) CYP3A4POLBMAPTRAB9A
SCHEMBL26120639 0.62 CYP2C9 (0.38) CYP2C9CYP2D6CYP3A4GAASMN1; SMN2

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-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed