SCHEMBL15435161

SCHEMBL15435161

O/C=C\c1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
PTGS1 P23219 2/20 0.37
HPGD P15428 1/20 0.37
FGFR4 P22455 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 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
SCHEMBL955289 0.80 KMT2A (0.42) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL955291 0.80 KMT2A (0.42) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL955290 0.80 KMT2A (0.42) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL28276851 0.79 KMT2A (0.44) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1124416 0.78 KMT2A (0.53) KMT2ARAB9ASMN1; SMN2NPC1CDK5
SCHEMBL1124418 0.78 KMT2A (0.53) KMT2ARAB9ASMN1; SMN2NPC1CDK5
SCHEMBL472513 0.78 KMT2A (0.47) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL265343 0.78 KMT2A (0.43) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1311750 0.78 KMT2A (0.43) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL16860885 0.77 KMT2A (0.43) KMT2ARAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed