SCHEMBL15219791

SCHEMBL15219791

C/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RELA Q04206 2/20 0.42
CA1 P00915 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
FBP1 P09467 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2A6 P11509 1/20 0.39
APP P05067 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
APOBEC3A P31941 2/20 0.38

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
SCHEMBL13127489 1.00 NFE2L2 (0.45) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL17885977 1.00 NFE2L2 (0.45) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL13499856 1.00 NFE2L2 (0.45) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL13311242 0.98 NFE2L2 (0.48) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL26745065 0.98 NFE2L2 (0.48) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL13311231 0.94 NFE2L2 (0.41) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL14423276 0.92 TRPM8 (0.50) NFE2L2ALDH1A1TSHRLMNATP53
SCHEMBL13978791 0.91 ALDH1A1 (0.50) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL13040863 0.91 TRPM8 (0.49) NFE2L2ALDH1A1LMNACYP3A4KDM4E
SCHEMBL16489726 0.89 NFE2L2 (0.56) NFE2L2ALDH1A1TSHRRELACA1

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-8889825-B2 Conjugated polymer containing isoindigo units, preparation method and use thereof Ocean's King Lighting Science & Technology, Co., Ltd. (CN) 2014-11-18 US disclosed
US-20130220415-A1 CONJUGATED POLYMER CONTAINING ISOINDIGO UNITS, PREPARATION METHOD AND USE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-08-29 US disclosed