SCHEMBL9399674

SCHEMBL9399674

CCCCCCCc1ncc(-c2ccc(CCCCC)cc2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
GPR3 P46089 1/20 0.42
HTR2A P28223 1/20 0.41
NPC1 O15118 1/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
ESR1 P03372 2/20 0.38

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
SCHEMBL9399246 0.99 RARB (0.49) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9775758 0.96 RARB (0.47) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9399660 0.96 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9399702 0.94 RARB (0.45) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9399921 0.87 RARB (0.52) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9398841 0.85 NPC1 (0.43) RARBRAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL9398950 0.85 MAPT (0.58) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8774727 0.85 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8774991 0.85 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9160685 0.85 RARB (0.56) RARBMAPTRAB9ASMN1; SMN2KDM4E

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 7 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-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