SCHEMBL11290144

SCHEMBL11290144

O=c1[nH]c(-c2cccc(OC(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.61
TNKS2 Q9H2K2 4/20 0.61
PARP1 P09874 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
WNT3A P56704 1/20 0.57
GUSB P08236 4/20 0.56
MGLL Q99685 3/20 0.56
PARP2 Q9UGN5 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
CYP1B1 Q16678 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
SCHEMBL30311612 0.86 TNKS (0.69) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL11286913 0.86 TNKS (0.69) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL874228 0.83 GUSB (0.73) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL29784145 0.83 GUSB (0.73) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL8620410 0.82 TNKS (0.83) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL23743165 0.81 TNKS (0.73) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL16768506 0.80 TNKS (0.78) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL259479 0.79 ALDH1A1 (0.64) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL26389136 0.78 RAB9A (0.72) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL29592833 0.78 TNKS (1.00) TNKSTNKS2PARP1NPC1RAB9A

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-0058822-A1 Method to alter or control the development and/or life cycle of various plant species AMERICAN CYANAMID COMPANY (US) 1982-09-01 EP claimed