SCHEMBL8971190

SCHEMBL8971190

COc1ccc(Cc2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
TAS2R14 Q9NYV8 1/20 0.48
MAOB P27338 3/20 0.47
NPBWR1 P48145 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 1/20 0.45
FFAR1 O14842 1/20 0.45
MAOA P21397 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRB3 P13945 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CASR P41180 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL11116297 0.85 POLB (0.53) LTA4HPOLBGAATAS2R14MAOB
SCHEMBL30522129 0.84 FFAR1 (0.49) LTA4HGAAMAOBRAB9ANPC1
SCHEMBL28251912 0.82 LTA4H (0.72) LTA4HMAOBRAB9ANPC1MEN1
SCHEMBL16153739 0.81 PDE3B (0.53) POLBGAAFFAR1SLC6A2SLC6A4
SCHEMBL2027109 0.80 LTA4H (0.69) LTA4HMAOBRAB9ANPC1MEN1
SCHEMBL1252940 0.80 TSHR (0.48) TAS2R14MAOBFFAR1MAOASMN1; SMN2
SCHEMBL181219 0.78 MAOB (0.49) LTA4HPOLBGAAMAOBRAB9A
SCHEMBL7020464 0.77 TSHR (0.46) MAOBFFAR1MAOASMN1; SMN2TDP1
SCHEMBL27731942 0.77 TSHR (0.41) FFAR1SMN1; SMN2TSHR
SCHEMBL27611685 0.77 KEAP1 (0.58) FFAR1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483308-A A kind of method that imines hydrogenating reduction prepares secondary-amine compound UNIV DALIAN TECH 2019-11-22 CN disclosed
EP-0493601-B1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN CO (JP) 1996-03-20 EP disclosed
US-5425897-A Electrooptics IDEMITSU KOSAN CO., LTD. (JP) 1995-06-20 US disclosed
US-5380915-A Copolymers of polydimethylsiloxane with diene ethers IDEMITSU KOSAN CO., LTD. (JP) 1995-01-10 US disclosed
US-5281685-A Polyether pendant groups, polysiloxane repeating units IDEMITSU KOSAN CO., LTD. (JP) 1994-01-25 US disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP disclosed