SCHEMBL6692823

SCHEMBL6692823

NC(=O)c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(NC(=O)NCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CCR3 P51677 2/20 0.47
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
CXCR3 P49682 2/20 0.42
POLB P06746 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
FSHR P23945 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6687497 0.86 MAPT (0.52) MAPTCCR3LMNARAB9APOLB
SCHEMBL29968689 0.86 MAPT (0.52) MAPTCCR3LMNARAB9APOLB
SCHEMBL29968530 0.85 MAPT (0.58) MAPTLMNAPOLBTP53FSHR
SCHEMBL6687109 0.85 MAPT (0.58) MAPTLMNAPOLBTP53FSHR
SCHEMBL6690231 0.84 MAPT (0.47) MAPTLMNAPOLBCA1CA2
SCHEMBL29968850 0.84 MAPT (0.47) MAPTLMNAPOLBCA1CA2
SCHEMBL6687417 0.84 MAPT (0.49) MAPTCCR3LMNAPOLBCA1
SCHEMBL6684975 0.84 NPSR1 (0.48) MAPTLMNARAB9APOLBNPC1
SCHEMBL29968257 0.84 NPSR1 (0.48) MAPTLMNARAB9APOLBNPC1
SCHEMBL29968283 0.84 MAPT (0.49) MAPTCCR3LMNAPOLBCA1

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
WO-2004087685-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO claimed