SCHEMBL8792913

SCHEMBL8792913

NCC(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CXCL12 P48061 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL45515 0.83 MAPT (0.64) HPGDALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL10337516 0.83 MAPT (0.64) HPGDALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL4256193 0.82 SMN1; SMN2 (0.63) HPGDALDH1A1L3MBTL1LMNACA1
SCHEMBL2775289 0.82 GSK3B (0.67) HPGDALDH1A1L3MBTL1LMNACA1
SCHEMBL9660702 0.82 ALDH1A1 (0.67) HPGDALDH1A1L3MBTL1LMNACA1
SCHEMBL11598091 0.81 HPGD (0.67) HPGDALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL316197 0.81 NR4A2 (0.68) HPGDALDH1A1L3MBTL1LMNAMAPK1
Hydrochloric Acid SCHEMBL194804 0.81 MAPT (0.61) HPGDALDH1A1L3MBTL1LMNAMAPK1
Bromide SCHEMBL19378722 0.81 MAPT (0.61) HPGDALDH1A1L3MBTL1LMNAMAPK1
Water SCHEMBL18694848 0.81 MAPT (0.61) HPGDALDH1A1L3MBTL1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11036135-B2 Curable composition, cured product thereof, and curing method therefor ADEKA CORPORATION (JP) 2021-06-15 US disclosed
US-20200073239-A1 CURABLE COMPOSITION, CURED PRODUCT THEREOF, AND CURING METHOD THEREFOR ADEKA CORPORATION (JP) 2020-03-05 US disclosed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
EP-0594702-B1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS UPJOHN CO (US) 1997-01-29 EP disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 WO disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed