SCHEMBL9399294

SCHEMBL9399294

CCCCCc1ncc(CCc2ccc(CCCCC)c(Cl)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
SLC5A2 P31639 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL9399681 0.96 RAB9A (0.41) SMN1; SMN2RAB9AMAPTSIGMAR1NPC1
SCHEMBL9398549 0.96 RAB9A (0.41) SMN1; SMN2RAB9AMAPTSIGMAR1NPC1
SCHEMBL9399788 0.91 RAB9A (0.42) SMN1; SMN2RAB9AMAPTSIGMAR1NPC1
SCHEMBL9398814 0.85 SIGMAR1 (0.46) SMN1; SMN2MAPTSIGMAR1GLAMEN1
SCHEMBL9398679 0.83 S1PR1 (0.41) SMN1; SMN2RAB9AMAPTNPC1STAT3
SCHEMBL9399542 0.82 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AMAPTNPC1GLA
SCHEMBL9400265 0.82 ESR1 (0.50) MAPTRARBMEN1KMT2AKDM4E
SCHEMBL9398722 0.81 CNR2 (0.41) SMN1; SMN2RAB9AMAPTNPC1STAT3
SCHEMBL9398891 0.81 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMAPTSIGMAR1NPC1
SCHEMBL9399168 0.80 ESR1 (0.47) SIGMAR1RARBKDM4EALDH1A1HSD17B10

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