SCHEMBL9325896

SCHEMBL9325896

C=CCc1cccc(N=C=O)c1N=C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.49
GABRB2 P47870 3/20 0.49
CYP3A4 P08684 1/20 0.43
GAA P10253 3/20 0.33
KMT2A Q03164 5/20 0.32
MAPT P10636 5/20 0.32
LMNA P02545 4/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 3/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL8156871 0.84 CYP3A4 (0.42) GABRA1GABRB2CYP3A4GAAKMT2A
SCHEMBL10991179 0.81 GABRA1 (0.50) GABRA1GABRB2CYP3A4GAAKMT2A
SCHEMBL467385 0.80 GABRA1 (0.57) GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL8676405 0.79 CYP3A4 (0.48) GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL109349 0.79 GABRA1 (0.78) GABRA1GABRB2CYP3A4GAALMNA
SCHEMBL7723447 0.79 GABRA1 (0.55) GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL10988378 0.78 CYP3A4 (0.42) GABRA1GABRB2CYP3A4GAAKMT2A
SCHEMBL10511404 0.78 GABRA1 (0.41) GABRA1GABRB2CYP3A4
SCHEMBL1140207 0.77 GABRA1 (0.53) GABRA1GABRB2CYP3A4MAPTALDH1A1
SCHEMBL9181818 0.76 GABRA1 (0.52) GABRA1GABRB2CYP3A4

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-5364893-A Hydrogenated aromatic diisocyanate trimer curing agent SIEMENS AKTIENGESELLSCHAFT (DE) 1994-11-15 US claimed
US-5364893-A Hydrogenated aromatic diisocyanate trimer curing agent SIEMENS AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5143995-A Containing urea linkages; composite films; moisture curable; one or two component systems BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
US-4812490-A POLYEPOXY RESIN, TRIAZINE HARDENER, MINERAL FILLER FOR ENCAPSULATING SEMICONDUCTOR COMPONENTS SIEMENS AKTIENGESELLSCHAFT (DE) 1989-03-14 US disclosed
US-4783345-A Method for the manufacture of prepregs and their use SIEMENS AKTIENGESELLSCHAFT (DE) 1988-11-08 US disclosed