SCHEMBL5198293

SCHEMBL5198293

Cn1nc(C(F)(F)F)cc1OCF

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 5/20 0.51
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TGFBR1 P36897 1/20 0.40
PKM P14618 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL4753817 0.86 ALDH1A1 (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL20457202 0.86 KMT2A (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL26750160 0.83 KMT2A (0.51) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL4737609 0.81 KMT2A (0.50) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL30363332 0.81 KMT2A (0.50) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL4977409 0.80 KMT2A (0.49) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL4166964 0.80 ALDH1A1 (0.56) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL13490122 0.79 KMT2A (0.54) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL24305797 0.79 KMT2A (0.48) KMT2AALDH1A1ADORA2AADORA1TGFBR1
SCHEMBL20797272 0.79 ALDH1A1 (0.65) KMT2AALDH1A1ADORA2AADORA1TGFBR1

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
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 WO disclosed