SCHEMBL11903462

SCHEMBL11903462

FC(F)(F)Oc1ccc2nc(-c3cccs3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 4/20 0.60
NPC1 O15118 3/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 3/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
RUNX1 Q01196 6/20 0.59
CBFB Q13951 3/20 0.59
TRPV1 Q8NER1 1/20 0.56
HSD17B10 Q99714 4/20 0.56
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL11903459 0.90 KDM4E (0.56) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903539 0.80 TRPV1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903481 0.79 TRPV1 (0.72) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL12082222 0.75 RAB9A (0.69) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL28601354 0.75 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL2248581 0.75 KDM4E (0.69) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903468 0.75 TRPV1 (0.74) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903471 0.74 P2RY6 (0.67) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903652 0.74 TRPV1 (0.77) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL11903498 0.74 TRPV1 (0.77) ALDH1A1KDM4ERAB9ASMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293780-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making U.S. DEPARTMENT OF ENERGY (US) 2012-10-23 US disclosed
US-8242284-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2012-08-14 US disclosed