SCHEMBL21156699

SCHEMBL21156699

Cc1ccc(-c2nc(C)c(C(=O)O)s2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
KDM4E B2RXH2 4/20 0.69
GAA P10253 2/20 0.69
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 1/20 0.66
POLB P06746 1/20 0.66
ALDH1A1 P00352 3/20 0.59
TARBP2 Q15633 2/20 0.54
XDH P47989 5/20 0.54
KMT2A Q03164 2/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
PGR P06401 1/20 0.51
CHRM1 P11229 1/20 0.51
PDE4A P27815 1/20 0.51
BLVRB P30043 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL8867598 0.83 KDM4E (0.67) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL12970049 0.83 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL892234 0.82 RAB9A (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867920 0.81 RAB9A (0.61) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL28295522 0.81 CDC7 (0.67) KDM4EALDH1A1KMT2AMAPT
SCHEMBL21157454 0.81 RAB9A (0.57) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL289112 0.81 SMN1; SMN2 (0.93) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL2011167 0.81 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867051 0.81 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL1327631 0.80 SMN1; SMN2 (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1

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-2952513-B1 AZOLE BENZENE DERIVATIVE TEIJIN PHARMA LTD (JP) 2019-07-10 EP disclosed