SCHEMBL3439684

SCHEMBL3439684

[2H]/N=C(/CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 2/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 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
SCHEMBL10513166 0.83 ATM (0.50) ATMCES2CES1TP53ESR1
SCHEMBL13317140 0.70 CES2 (0.52) ATMCES2CES1TP53ESR1
SCHEMBL8596721 0.67 ESR1 (0.61) ATMCES2CES1TSHRTP53
SCHEMBL451258 0.67 ATM (0.54) ATMCES2CES1DAOTSHR
SCHEMBL3314631 0.67 ESR1 (0.61) ATMCES2CES1TSHRTP53
SCHEMBL219736 0.67 ATM (0.54) ATMCES2CES1DAOTSHR
SCHEMBL1456797 0.67 ATM (0.54) ATMCES2CES1DAOTSHR
Benzoic Acid SCHEMBL5788770 0.67 TSHR (0.70) ATMCES2CES1DAOTSHR
Benzoic Acid SCHEMBL242715 0.67 TSHR (0.70) ATMCES2CES1DAOTSHR
Benzoic Acid SCHEMBL27660361 0.67 TSHR (0.61) ATMCES2CES1DAOTSHR

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-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed