SCHEMBL9664845

SCHEMBL9664845

COC(=O)C(N)c1ccccc1C(N)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.40
KDM1A O60341 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
ANPEP P15144 1/20 0.38
LTA4H P09960 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL7976422 0.88 CA1 (0.47) KMT2AALDH1A1CYP1A2L3MBTL1PTGS1
SCHEMBL8568940 0.88 ALDH1A1 (0.47) KMT2AALDH1A1TSHRKDM1AHSD17B10
SCHEMBL30574489 0.87 CYP2C19 (0.44) KMT2AALDH1A1CYP3A4
SCHEMBL15670602 0.87 KMT2A (0.47) KMT2AALDH1A1
SCHEMBL29975235 0.87 CASP1 (0.44) KMT2AALDH1A1
SCHEMBL3921752 0.87 KMT2A (0.43) KMT2AALDH1A1TSHRKDM1AHSD17B10
SCHEMBL15670601 0.87 KMT2A (0.47) KMT2AALDH1A1
SCHEMBL1159853 0.87 CASP1 (0.44) KMT2AALDH1A1
SCHEMBL21296572 0.87 CYP2C19 (0.44) KMT2AALDH1A1CYP3A4
SCHEMBL29557046 0.87 CASP1 (0.44) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138015-A Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 EP disclosed