SCHEMBL7687217

SCHEMBL7687217

Cc1nc(NCCc2ccc(C(C)C)cc2Br)nc(C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SORT1 Q99523 1/20 0.32
PFKFB3 Q16875 1/20 0.32
COPS5 Q92905 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EIF4A3 P38919 1/20 0.30

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
SCHEMBL7678044 0.79 MEN1 (0.40) CRHR1KMT2ASORT1PFKFB3MEN1
SCHEMBL7687220 0.77 CRHR1 (0.34) CRHR1SORT1PFKFB3COPS5EIF4A3
SCHEMBL7678167 0.76 KDM4E (0.36) CRHR1KMT2AKDM4EMEN1
SCHEMBL7680570 0.71 SMN1; SMN2 (0.42) KMT2AMEN1NPC1RAB9A
SCHEMBL11431410 0.63 AKR1C3 (0.45) KMT2AMEN1
SCHEMBL27598611 0.62 CRHR1 (0.39) CRHR1NPC1RAB9A
SCHEMBL12591789 0.61 GAA (0.41) CRHR1NPC1RAB9A
SCHEMBL3884223 0.61 TRPA1 (0.46) NPC1RAB9A
SCHEMBL12304013 0.60 DHODH (0.44) CRHR1CA12CA1CA2CA9
SCHEMBL5855306 0.60 ALDH1A1 (0.44) NPC1RAB9A

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-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed