SCHEMBL9399702

SCHEMBL9399702

CCCCCc1ncc(-c2ccc(CCC)cc2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.45
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
GCGR P47871 1/20 0.36
GPR3 P46089 1/20 0.36
ALOX5AP P20292 2/20 0.35

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
SCHEMBL9775758 0.99 RARB (0.47) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9399246 0.96 RARB (0.49) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9399674 0.94 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9399660 0.93 RARB (0.50) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9398841 0.91 NPC1 (0.43) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9399921 0.84 RARB (0.52) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9398950 0.82 MAPT (0.58) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9398528 0.82 RARB (0.41) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9398530 0.82 RARB (0.41) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL10459587 0.82 RARB (0.47) RARBRAB9ASMN1; SMN2NPC1HSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed