SCHEMBL9756997

SCHEMBL9756997

O=C(O)C=Cc1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.50
CA4 P22748 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NFE2L2 Q16236 10/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGER1 P34995 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL9756994 1.00 LMNA (0.50) LMNACA1CA2NFKB1CA4
SCHEMBL581279 0.80 NPC1 (0.45) LMNASMN1; SMN2NFE2L2NPC1RAB9A
SCHEMBL15765203 0.80 NPC1 (0.54) LMNACA1CA2SMN1; SMN2NFE2L2
SCHEMBL15758324 0.80 NPC1 (0.54) LMNACA1CA2SMN1; SMN2NFE2L2
SCHEMBL18260244 0.79 TRIM24 (0.56) CA1CA2NFKB1CA4SMN1; SMN2
SCHEMBL2278695 0.79 CA1 (0.50) CA1CA2NFKB1CA4PTGER1
SCHEMBL18260242 0.79 TRIM24 (0.56) CA1CA2NFKB1CA4SMN1; SMN2
SCHEMBL19851886 0.79 CA1 (0.50) CA1CA2NFKB1CA4SMN1; SMN2
SCHEMBL2278693 0.79 CA1 (0.50) CA1CA2NFKB1CA4PTGER1
SCHEMBL9756923 0.79 CA1 (0.50) CA1CA2NFKB1CA4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 EP disclosed