SCHEMBL5166135

SCHEMBL5166135

Cc1ccc(C=CC#N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
AMY1A P0DUB6 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX12 P18054 2/20 0.38
NFKB1 P19838 1/20 0.38
S100A4 P26447 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
SCHEMBL5166130 1.00 MEN1 (0.40) MEN1KMT2ACYP1A1CYP1B1GABRA1
SCHEMBL27945269 0.81 GABRA1 (0.41) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL9869836 0.81 PTGS1 (0.39) KDM4EALOX5PTGS1PTGS2
SCHEMBL9651833 0.81 PTGS1 (0.39) KDM4EALOX5PTGS1PTGS2
SCHEMBL6546420 0.80 AMY1A (0.47) MEN1KMT2ACYP1A1CYP1B1AMY1A
SCHEMBL11323718 0.80 AMY1A (0.47) MEN1KMT2ACYP1A1CYP1B1AMY1A
SCHEMBL15362107 0.80 CYP1A1 (0.42) MEN1KMT2ACYP1A1CYP1B1GABRA1
SCHEMBL15362106 0.80 CYP1A1 (0.42) MEN1KMT2ACYP1A1CYP1B1GABRA1
SCHEMBL16420007 0.78 AR (0.38) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL28645929 0.78 CYP2A6 (0.37) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
EP-0787122-B9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2007-10-17 EP disclosed
EP-0787122-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2007-04-11 EP disclosed
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 WO disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 WO disclosed