SCHEMBL27471980

SCHEMBL27471980

CCCCc1cnc(-c2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.55
RAB9A P51151 9/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 7/20 0.44
NFKB1 P19838 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAPK1 P28482 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
LMNA P02545 1/20 0.40

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
SCHEMBL10604244 0.86 RARB (0.54) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27470062 0.85 RAB9A (0.61) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8083682 0.84 RAB9A (0.68) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10602210 0.84 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10292271 0.83 RAB9A (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27807742 0.82 RAB9A (0.42) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8083723 0.81 RAB9A (0.73) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8081783 0.81 RAB9A (0.73) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7914111 0.81 RAB9A (0.59) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8069428 0.81 RAB9A (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169138-A Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition CHISSO CORP (JP) 1997-12-31 CN disclosed