SCHEMBL6287219

SCHEMBL6287219

CCNCCCNC(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50
CYP1A2 P05177 1/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
EPHX1 P07099 6/20 0.45
TSHR P16473 1/20 0.42
KDM1A O60341 3/20 0.41
SAT1 P21673 3/20 0.41
PAOX Q6QHF9 1/20 0.41

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
SCHEMBL6290152 0.96 EPHX1 (0.50) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6290120 0.94 EPHX1 (0.54) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL19150657 0.89 CASP2 (0.42) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL6280459 0.87 MAPT (0.43) KEAP1NFE2L2EPHX1TSHRSAT1
SCHEMBL6289605 0.86 KEAP1 (0.40) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL11382117 0.86 KEAP1 (0.55) CYP2C19MEN1KMT2AKEAP1NFE2L2
SCHEMBL6290110 0.85 EPHX1 (0.57) KEAP1NFE2L2EPHX1TSHRKDM1A
SCHEMBL6283812 0.84 CYP2C19 (0.52) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL13466509 0.81 KEAP1 (0.61) MEN1KMT2AKEAP1NFE2L2EPHX1
SCHEMBL6289669 0.81 EPHX1 (0.63) KEAP1NFE2L2EPHX1TSHRPAOX

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-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed