SCHEMBL16508247

SCHEMBL16508247

CC1=C(NC(=O)c2ccc(Nc3nc(-c4cccc(CN5CCOCC5)c4)c4ccccc4n3)cc2)C(C)CC=C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 7/20 0.41
LRRK2 Q5S007 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
AVPR1B P47901 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40
HDAC1 Q13547 1/20 0.39
TNIK Q9UKE5 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
SCHEMBL4138505 0.85 MOK (0.46) MOKLRRK2KMT2ANPC1RAB9A
SCHEMBL4134697 0.82 HIF1A (0.54) LRRK2KMT2ANPC1RAB9AHIF1A
SCHEMBL4147650 0.80 SMN1; SMN2 (0.57) MOKLRRK2KMT2ANPC1RAB9A
SCHEMBL4139081 0.80 HDAC1 (0.50) MOKKMT2ANPC1RAB9AHIF1A
SCHEMBL4137644 0.78 HIF1A (0.52) KMT2ANPC1RAB9AHIF1AEPAS1
SCHEMBL4138866 0.77 HDAC1 (0.50) MOKLRRK2KMT2ANPC1RAB9A
SCHEMBL27963311 0.77 KDM4E (0.50) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL4137815 0.77 AXL (0.47) LMNAKDRHDAC1
SCHEMBL4139048 0.76 MOK (0.47) MOKLRRK2
SCHEMBL4147051 0.76 HIF1A (0.51) LRRK2KMT2ANPC1RAB9AHIF1A

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
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed