SCHEMBL29929259

SCHEMBL29929259

Cc1cc(-c2ccccn2)n2ncc(C(=O)O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.57
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAT2A P31153 1/20 0.43
▸ GPR39 O43194 3/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ STAT1 P42224 1/20 0.42

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
SCHEMBL19436672 1.00 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29929405 0.86 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19436797 0.86 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19436715 0.83 KDM4E (0.43) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19436711 0.83 KDM4E (0.43) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19436645 0.81 KDM4E (0.58) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29929502 0.81 KDM4E (0.58) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19455731 0.80 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDUSP2
SCHEMBL19436695 0.80 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDUSP2
SCHEMBL19455423 0.80 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDUSP2

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
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