SCHEMBL4563307

SCHEMBL4563307

C=CCc1nc(C)c(C)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7604115 0.79 NPSR1 (0.35) NPSR1HPGDALDH1A1L3MBTL1MCL1
Hydrochloric Acid SCHEMBL31098159 0.78 LMNA (0.32) NPSR1
SCHEMBL2020536 0.72
SCHEMBL24065806 0.70
SCHEMBL10910403 0.70 NPSR1 (0.35) NPSR1HPGDALDH1A1L3MBTL1MCL1
Hydrochloric Acid SCHEMBL1365937 0.68 CACNA1H (0.32) ALDH1A1L3MBTL1
SCHEMBL3703329 0.68 GLA (0.40) ALDH1A1KDM4E
SCHEMBL9522589 0.68 ALDH1A1 (0.32) NPSR1HPGDALDH1A1L3MBTL1MCL1
SCHEMBL9726802 0.67 NPSR1 (0.33) NPSR1HPGDALDH1A1L3MBTL1
SCHEMBL20470648 0.67 SMN1; SMN2 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061464-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT Ramot, at Tel Aviv University Ltd. (IL) 2009-05-27 EP disclosed
WO-2008032324-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-03-20 WO disclosed
EP-0088595-A2 Cyanine dyes for sensitizing silver halide emulsions to infrared radiation and photographic elements including them MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-09-14 EP disclosed
EP-0050558-A2 Photographic emulsions and elements capable of forming direct-positive images EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-04-28 EP disclosed