SCHEMBL9399411

SCHEMBL9399411

CCCCCc1cnc(-c2ccc(CCCCC)cc2F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 4/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR3 P46089 1/20 0.41

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
SCHEMBL9399034 0.98 RARB (0.50) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9398666 0.97 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9398829 0.97 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9399921 0.91 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL11979772 0.90 GCGR (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9399832 0.89 NPC1 (0.44) RARBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11122151 0.89 RARB (0.56) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9399018 0.89 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9165115 0.89 RARB (0.50) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7510828 0.89 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E

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