SCHEMBL11016582

SCHEMBL11016582

CCCc1ccc(-c2ccc(-c3ncc(C#N)c(F)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CDK1 P06493 7/20 0.37
▸ KDR P35968 7/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ PKM P14618 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
SCHEMBL10350458 0.99 RAB9A (0.40) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11018052 0.92 RAB9A (0.46) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11014559 0.91 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11017215 0.91 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11016174 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11014013 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11014920 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11019536 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11017823 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL11018451 0.90 HSD17B10 (0.53) RAB9ASMN1; SMN2ALDH1A1HSD17B10HPGD

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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