SCHEMBL27651071

SCHEMBL27651071

CC(F)c1cccc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ASIC3 Q9UHC3 1/20 0.47
▸ TRPV3 Q8NET8 1/20 0.41
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AURKA O14965 1/20 0.36

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
SCHEMBL2609332 0.84 KMT2A (0.60) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL28356455 0.84 MEN1 (0.60) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL16768767 0.81 MEN1 (0.56) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL14108546 0.81 KMT2A (0.56) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL12137374 0.81 MEN1 (0.56) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL12060888 0.78 MEN1 (0.52) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL14089452 0.78 MEN1 (0.52) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL12137380 0.78 MEN1 (0.52) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL14614690 0.78 MEN1 (0.52) KMT2AMEN1RAB9AASIC3TRPV3
SCHEMBL12915287 0.77 KMT2A (0.56) KMT2AMEN1RAB9AASIC3TRPV3

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
CN-1894269-A Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-01-10 — — CN disclosed
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