SCHEMBL14435892

SCHEMBL14435892

COc1ccc(/C=C2\CCC/C(=C\c3cccnc3)C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
HTT P42858 3/20 0.74
RAB9A P51151 3/20 0.74
ATM Q13315 2/20 0.74
CYP1A2 P05177 1/20 0.72
CYP19A1 P11511 6/20 0.67
CYP11B1 P15538 4/20 0.67
CYP11B2 P19099 4/20 0.67
MIF P14174 1/20 0.65
EGFR P00533 4/20 0.64
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MITF O75030 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
NSD2 O96028 1/20 0.54

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
SCHEMBL17899491 0.86 MAPT (1.00) MAPTSMN1; SMN2HTTRAB9AATM
SCHEMBL17693074 0.85 CYP1A2 (1.00) MAPTCYP1A2EGFRMEN1ALDH1A1
SCHEMBL30852828 0.80 MAPT (1.00) MAPTSMN1; SMN2HTTRAB9AATM
SCHEMBL30852868 0.80 MAPT (1.00) MAPTSMN1; SMN2HTTRAB9AATM
SCHEMBL4226283 0.80 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2MIF
SCHEMBL4226289 0.80 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2MIF
SCHEMBL4226278 0.80 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2MIF
SCHEMBL18513420 0.79 CYP1A2 (0.88) MAPTCYP1A2EGFRMEN1ALDH1A1
SCHEMBL6827735 0.79 MIF (1.00) MAPTSMN1; SMN2RAB9ACYP19A1CYP11B1
SCHEMBL6827732 0.79 MIF (1.00) MAPTSMN1; SMN2RAB9ACYP19A1CYP11B1

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
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed