SCHEMBL31258785

SCHEMBL31258785

CCOC(=O)c1nnc2c(Cl)cc(SCc3ccccc3)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL30713239 0.89 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL30713218 0.88 NPC1 (0.42) ALDH1A1NPC1RAB9ALMNATSHR
SCHEMBL29267300 0.83 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ALMNATSHR
SCHEMBL31258713 0.82 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9ALMNATSHR
SCHEMBL30713208 0.82 KDM4E (0.39) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL38664410 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ALMNATSHR
SCHEMBL31258770 0.76 KDM4E (0.37) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL31258781 0.75 WDR5 (0.41) ALDH1A1LMNASMN1; SMN2KMT2ACYP19A1
SCHEMBL31024611 0.74 NPC1 (0.44) ALDH1A1NPC1RAB9ALMNATSHR
SCHEMBL31024612 0.74 NPC1 (0.44) ALDH1A1NPC1RAB9ALMNATSHR

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-4716532-A2 BICYCLIC HETEROARYL COMPOUNDS Quantx Biosciences US, Inc. (US) 2026-04-01 EP disclosed
WO-2024243304-A2 BICYCLIC HETEROARYL COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2024-11-28 WO disclosed