SCHEMBL9544952

SCHEMBL9544952

CCCCCCCCCCCCCCCCN(CCCN(C)C)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.60
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44
THRB P10828 5/20 0.41
THRA P10827 3/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL27638365 0.92 USP2 (0.50) DNM1USP2LMNAALDH1A1TSHR
SCHEMBL6547344 0.92 DNM1 (0.52) DNM1USP2LMNAALDH1A1TSHR
SCHEMBL14520636 0.90 DNM1 (0.50) DNM1USP2LMNAALDH1A1TSHR
SCHEMBL4149053 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL11343070 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL4163491 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL8431297 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL4155109 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL6940598 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1
SCHEMBL4139404 0.89 CA12 (0.52) DNM1ALDH1A1TSHRCA12CA1

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-5270310-A N-aminoalkyl amide inhibitors of protein kinase C SPHINX PHARMACEUTICALS CORPORATION (US) 1993-12-14 US disclosed
WO-1993011758-A1 N-AMINOALKYL AMIDE INHIBITORS OF PROTEIN KINASE C SPHINX PHARMACEUTICALS CORPORATION (US) 1993-06-24 WO disclosed