SCHEMBL6262091

SCHEMBL6262091

CCCOc1cc(C)nc(Br)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ATM Q13315 1/20 0.36
S1PR4 O95977 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6257613 0.87 S1PR4 (0.39) SMN1; SMN2ALDH1A1HCRTR1HCRTR2ATM
SCHEMBL3229764 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPK1KMT2AHCRTR1
SCHEMBL31507314 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1KMT2AHSD17B10
SCHEMBL26670641 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1KMT2AHSD17B10
SCHEMBL6258930 0.76 KCNQ3 (0.50) SMN1; SMN2ALDH1A1KMT2ATSHRMEN1
SCHEMBL3723790 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPK1KMT2AKDM4E
SCHEMBL3625286 0.74 KMT2A (0.53) ALDH1A1KMT2ATSHRHSD17B10MEN1
SCHEMBL20504674 0.72 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL20505020 0.72 KDM4E (0.42) SMN1; SMN2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL13579888 0.70 TSHR (0.55) KMT2ATSHRHSD17B10CA9

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-2005070889-A1 HERBICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-04 WO disclosed