SCHEMBL9452575

SCHEMBL9452575

CCN(CC)CCCNC1CCCCCCCCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CXCR4 P61073 11/20 0.42
CXCL12 P48061 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.37
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12951516 0.94 KMT2A (0.44) KMT2ACXCR4CXCL12KDM4ELMNA
SCHEMBL15884117 0.90 GNAI3 (0.40) KMT2AKDM4ELMNAGNAI3GNAO1
SCHEMBL8851486 0.81 LMNA (0.35) KMT2ALMNAGNAI3GNAO1GNAI1
SCHEMBL8851547 0.81 GNAI3 (0.59) KMT2ACXCR4LMNAGNAI3GNAO1
SCHEMBL9417348 0.80 PKM (0.47) KMT2ACXCR4CXCL12KDM4E
SCHEMBL3536329 0.80 PKM (0.47) KMT2ACXCR4CXCL12KDM4E
SCHEMBL22210657 0.79 CXCR4 (0.41) CXCR4CXCL12KDM4E
SCHEMBL12083018 0.78 LMNA (0.40) KMT2ALMNA
SCHEMBL3687839 0.77 GNAI3 (0.52) KMT2ACXCR4CXCL12KDM4EGNAI3
SCHEMBL7775131 0.77 GNAI3 (0.52) KMT2ACXCR4CXCL12KDM4EGNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196542-A Phospholipase A2 inhibitors THE UPJOHN COMPANY (US) 1993-03-23 US disclosed