SCHEMBL30220596

SCHEMBL30220596

Cn1c(C(=O)O)cc2ccnc(C(F)(F)F)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MCL1 Q07820 2/20 0.42
HTT P42858 1/20 0.40
GPR35 Q9HC97 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.36
SRD5A2 P31213 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.34
KMO O15229 1/20 0.34
SORT1 Q99523 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
DHODH Q02127 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL24896365 1.00 HSD17B10 (0.42) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL30220568 0.82 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24896374 0.79 MCL1 (0.46) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL20504453 0.78 MCL1 (0.45) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL24896300 0.77 GRM4 (0.38)
SCHEMBL25003332 0.77 HASPIN (0.31) HSD17B10KDM4EHTTSMN1; SMN2
SCHEMBL24896258 0.75 KDM4E (0.50) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL24896576 0.75 MCL1 (0.43) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL24896316 0.75 MCL1 (0.43) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL24896308 0.73 MCL1 (0.41) HSD17B10KDM4EALDH1A1HPGDMCL1

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-4370207-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2024-05-22 EP disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 WO disclosed