SCHEMBL2403787

SCHEMBL2403787

NNc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
TDP1 Q9NUW8 4/20 0.61
ALDH1A1 P00352 3/20 0.61
TP53 P04637 3/20 0.61
HSD17B10 Q99714 3/20 0.50
TAAR1 Q96RJ0 2/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
IDO1 P14902 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.42

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
SCHEMBL1709616 0.91
SCHEMBL4094372 0.88 TDP1 (0.56) CYP3A4TDP1ALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL31628644 0.85 TDP1 (0.53) CYP3A4TDP1ALDH1A1TP53HSD17B10
Formaldehyde SCHEMBL27536836 0.83 MAPT (0.48) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL351125 0.80 MAPT (0.67) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL9518383 0.80 MAPT (0.67) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL6301188 0.80 MAPT (0.67) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL2024128 0.78 CYP3A4 (1.00) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL258287 0.78 CYP3A4 (1.00) CYP3A4TDP1ALDH1A1TP53HSD17B10
Benzidine SCHEMBL29021 0.78 CYP3A4 (1.00) CYP3A4TDP1ALDH1A1TP53HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603971-B2 Silk-based ionomeric compositions TRUSTEES OF TUFTS COLLEGE (US) 2017-03-28 US disclosed
US-20130039986-A1 Silk-Based Ionomeric Compositions TRUSTEES OF TUFTS COLLEGE (US) 2013-02-14 US disclosed
WO-2011109691-A2 SILK-BASED IONOMERIC COMPOSITIONS TRUSTEES OF TUFTS COLLEGE (US) 2011-09-09 WO disclosed