SCHEMBL11117413

SCHEMBL11117413

FC(F)(F)C1Cc2ccccc2Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PNMT P11086 1/20 0.39
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
HK1 P19367 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
HKDC1 Q2TB90 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
SCHEMBL9313816 0.79 ALDH1A1 (0.53) TSHRBRD4CREBBPMAPTNPC1
SCHEMBL11141197 0.79 PNMT (0.42) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29407071 0.73 HTR2A (0.49) TSHRPNMTGRIN2DGRIN3BGRIN1
SCHEMBL21693355 0.73 TSHR (0.54) TSHRBRD4CREBBPMAPTNPC1
SCHEMBL28061343 0.73 TSHR (0.54) TSHRBRD4CREBBPMAPTNPC1
SCHEMBL28529344 0.73 HTR2A (0.49) TSHRPNMTGRIN2DGRIN3BGRIN1
SCHEMBL25758208 0.71 HTR2C (0.33) PNMTMEN1KMT2AGAAHTR5A
SCHEMBL14313350 0.70 TSHR (0.51) TSHRBRD4CREBBPMAPTNPC1
SCHEMBL17075216 0.68 AR (0.42) MEN1KMT2AALDH1A1GAA
SCHEMBL6333376 0.68 GAA (0.43) TSHRMAPTMEN1KMT2AALDH1A1

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-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed