SCHEMBL11017171

SCHEMBL11017171

CCCCCCCCCCCc1ccc(-c2ccc(-c3ncc(C#N)c(F)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ RARB P10826 9/20 0.44
▸ RARA P10276 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RARG P13631 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL11014013 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11016174 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11018451 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11017823 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11019536 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11014920 1.00 HSD17B10 (0.53) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11017580 0.99 RAB9A (0.54) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11016553 0.99 RAB9A (0.54) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11016416 0.99 RAB9A (0.54) HSD17B10TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL11018963 0.99 RAB9A (0.54) HSD17B10TSHRRAB9ASMN1; SMN2MAPT

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
EP-0158137-A2 Pyrimidines MERCK PATENT GmbH (DE) 1985-10-16 — — EP disclosed
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