SCHEMBL7910610

SCHEMBL7910610

COC(=O)c1nn(C(C)c2cccc(OC)c2)c2c1CCc1cc(OCc3cncnc3)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 8/20 0.40
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 7/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ AURKA O14965 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MEN1 O00255 2/20 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
SCHEMBL7910622 0.93 HSD17B10 (0.39) HSD17B10TSHRLMNAKDM4ENPC1
SCHEMBL7911574 0.84 LMNA (0.43) HSD17B10TSHRLMNAKDM4ENPC1
SCHEMBL7917118 0.79 ROCK2 (0.34) HSD17B10TSHRLMNAKDM4ENPC1
SCHEMBL7913269 0.79 ROCK2 (0.34) HSD17B10TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL29922027 0.79 ROCK2 (0.34) HSD17B10TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL1150210 0.79 ROCK2 (0.34) HSD17B10TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL7911557 0.79 FFAR1 (0.35) HSD17B10TSHRLMNAKDM4ENPC1
SCHEMBL7903245 0.79 SMN1; SMN2 (0.44) HSD17B10TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL7910547 0.79 HSD17B10 (0.38) HSD17B10TSHRLMNAKDM4ENPC1
SCHEMBL7917122 0.78 ROCK2 (0.34) HSD17B10TSHRLMNAKDM4ESMN1; 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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