SCHEMBL13192529

SCHEMBL13192529

C/C(=N\OC(=O)C(F)(F)F)c1ccc(Sc2ccc(N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSK P43235 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MTOR P42345 2/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL9962610 0.82 MAPT (0.45) HPGDL3MBTL1LMNATSHRMAPK1
SCHEMBL13640046 0.81 HPGD (0.42) HPGDL3MBTL1LMNACYP1A2CYP3A4
SCHEMBL13244763 0.74 MAPT (0.47) L3MBTL1LMNACYP1A2CYP3A4MAPT
SCHEMBL19196496 0.72 HPGD (0.63) HPGDL3MBTL1LMNACYP1A2MAPK1
SCHEMBL9962632 0.71 HPGD (0.59) HPGDL3MBTL1LMNACYP1A2MAPK1
SCHEMBL19196497 0.71 CYP1A2 (0.55) HPGDL3MBTL1LMNACYP1A2MAPK1
SCHEMBL20591205 0.70 HPGD (0.79) HPGDL3MBTL1LMNACYP1A2CYP3A4
SCHEMBL10075714 0.69 L3MBTL1 (0.39) HPGDL3MBTL1LMNACYP1A2CYP3A4
SCHEMBL10075735 0.69 GAA (0.39) HPGDL3MBTL1LMNACYP3A4TSHR
SCHEMBL3079327 0.69 TSHR (0.61) HPGDL3MBTL1LMNACYP3A4TSHR

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-2223910-A1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME Adeka Corporation (JP) 2010-09-01 EP disclosed