SCHEMBL7794102

SCHEMBL7794102

CCCc1ccc(-c2ccc(OCCCC(F)(F)F)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
MAPT P10636 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 9/20 0.58
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
THRB P10828 2/20 0.53
NPC1 O15118 6/20 0.50
TP53 P04637 2/20 0.50
STAT3 P40763 1/20 0.50
ATM Q13315 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48

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
SCHEMBL7794132 0.93 RAB9A (0.70) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7793350 0.91 RAB9A (0.69) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7784590 0.91 RAB9A (0.69) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7794066 0.90 RAB9A (0.67) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL9620740 0.88 RAB9A (0.74) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL10461297 0.86 RAB9A (0.72) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL10560144 0.85 RAB9A (0.70) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL10558732 0.85 RAB9A (0.70) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL10557803 0.85 RAB9A (0.70) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL9620656 0.85 SMN1; SMN2 (0.74) RAB9AMAPTL3MBTL1SMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150937-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS QinetiQ Limited (GB) 2001-11-07 EP disclosed
WO-2000039062-A1 LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-07-06 WO disclosed