SCHEMBL8377173

SCHEMBL8377173

CCCCCc1ccc(-c2ccc(CCc3ccc(C#N)c(F)c3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 3/20 0.54
STAT3 P40763 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL9150359 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9151651 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9152695 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL7910603 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9151076 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9151358 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9151591 0.88 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8153271 0.87 TSHR (0.57) MAPTALDH1A1HSD17B10TSHRCYP11B1
SCHEMBL10359182 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8155805 0.85 HSD17B10 (0.60) MAPTKDM4EALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed