SCHEMBL29929318

SCHEMBL29929318

COCc1cc(-c2cccc(F)c2)nc2c(C(=O)O)cnn12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.54
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 9/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL19436798 1.00 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436650 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436646 0.99 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436647 0.91 HSD17B10 (0.45) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL29929061 0.89 KDM4E (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19436708 0.89 KDM4E (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19436746 0.88 ALDH1A1 (0.57) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436667 0.87 HSD17B10 (0.68) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436621 0.87 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4ELMNAMEN1
SCHEMBL19436735 0.86 HSD17B10 (0.67) HSD17B10ALDH1A1KDM4ELMNAMEN1

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
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN disclosed