SCHEMBL31336658

SCHEMBL31336658

COc1ccc(-c2c(C=O)ncn2C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 1/20 0.39
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
TNKS O95271 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP11B1 P15538 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL31336591 0.76 KDM4C (0.46) ALDH1A1KDM5AKDM2BKDM4CKDM5B
SCHEMBL31336796 0.75 KDM5A (0.40) ALDH1A1KDM5AKDM2BKDM4CKDM5B
SCHEMBL31336809 0.73 POLB (0.40) ALDH1A1CYP2A6RXFP1TNKSPDE2A
SCHEMBL31336818 0.73 TGFBR1 (0.37) ALDH1A1CYP2A6RXFP1TNKSMEN1
SCHEMBL8029455 0.71 ALDH1A1 (0.58) ALDH1A1CYP2A6RXFP1MEN1KMT2A
SCHEMBL15258007 0.70 ALDH1A1 (0.57) ALDH1A1CYP2A6RXFP1TNKSMEN1
SCHEMBL3147993 0.70 CA12 (0.50) ALDH1A1RXFP1TNKSMEN1KMT2A
SCHEMBL30335253 0.70 CA12 (0.50) ALDH1A1RXFP1TNKSMEN1KMT2A
SCHEMBL29320318 0.66 SMN1; SMN2 (0.39) ALDH1A1CYP2A6RXFP1TNKSMEN1
SCHEMBL733531 0.66 TUBB4A (0.51) ALDH1A1CYP2A6MAPTSMN1; SMN2NFE2L2

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
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed