SCHEMBL4870232

SCHEMBL4870232

N#CCCCCCCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
SOAT1 P35610 2/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC1A2 P43004 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PMP22 Q01453 2/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PTPN7 P35236 3/20 0.34

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
SCHEMBL4870359 1.00 MCL1 (0.46) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL606795 1.00 MCL1 (0.46) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL5948112 1.00 MCL1 (0.46) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL4868786 1.00 MCL1 (0.46) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL609353 1.00 MCL1 (0.46) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL8646663 0.97 MCL1 (0.48) MCL1KMT2ACYP1A2CYP2C19MEN1
SCHEMBL909621 0.97
SCHEMBL27789152 0.95
SCHEMBL3106710 0.90
SCHEMBL20331751 0.88 FAAH (0.58) KMT2ACYP1A2CYP2C19MEN1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470765-B2 Method for producing polyamides BASF AKTIENGESELLSCHAFT (DE) 2008-12-30 US disclosed
US-20060217522-A1 Method for the production of polyamides BASF AKTIENGESELLSCAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2006-09-28 US disclosed
US-20050154182-A1 Reacting mixture of nitrile-containing monomers and water in presence of titanium dioxide catalyst BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 US disclosed