SCHEMBL7910622

SCHEMBL7910622

COc1cccc(C(C)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FFAR1 O14842 8/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ RAD52 P43351 1/20 0.36

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
SCHEMBL7910610 0.93 HSD17B10 (0.40) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7913269 0.85 ROCK2 (0.34) HSD17B10KDM4ELMNATSHRSMN1; SMN2
SCHEMBL1150210 0.85 ROCK2 (0.34) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL29922027 0.85 ROCK2 (0.34) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7911557 0.85 FFAR1 (0.35) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7917122 0.85 ROCK2 (0.34) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7913240 0.85 ROCK2 (0.34) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7911578 0.84 BCL2 (0.35) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7903224 0.84 CYP19A1 (0.34) HSD17B10KDM4ELMNATSHRFFAR1
SCHEMBL7916986 0.83 ALDH1A1 (0.46) HSD17B10KDM4ELMNATSHRSMN1; SMN2

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
US-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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