SCHEMBL2403790

SCHEMBL2403790

Nc1ccc(C2=CCC(N)(N)C=C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
TDP2 O95551 1/20 0.32
KIF11 P52732 1/20 0.30
CYP19A1 P11511 2/20 0.30

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
SCHEMBL1120013 0.83 TAAR1 (0.34) CYP3A4TDP1ALDH1A1HSD17B10TAAR1
SCHEMBL2543904 0.82 CYP3A4 (0.36) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL7999615 0.82 TAAR1 (0.38) CYP3A4TDP1ALDH1A1HSD17B10TAAR1
Methane SCHEMBL20572263 0.82 TAAR1 (0.33) CYP3A4TDP1ALDH1A1HSD17B10TAAR1
SCHEMBL31193278 0.78 CASP1 (0.33) CYP3A4TDP1ALDH1A1TP53HSD17B10
Propane SCHEMBL23045274 0.77 MMP2 (0.33) CYP3A4TDP1HSD17B10TAAR1MAPT
SCHEMBL8982575 0.77 ALDH1A1 (0.31) CYP3A4TDP1ALDH1A1TP53
SCHEMBL31219260 0.77 ALDH1A1 (0.31) CYP3A4TDP1ALDH1A1TP53
SCHEMBL714828 0.77 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL8953979 0.76 HSD17B10 (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112057669-B Composite gel for treating and evaluating chronic wound and preparation method thereof 广西师范大学 2021-07-02 CN claimed
CN-112057669-A Composite gel for treating and evaluating chronic wound and preparation method thereof 广西师范大学 2020-12-11 CN claimed
CN-114870884-A Hydrogenation catalyst, preparation method and application thereof 中国科学院过程工程研究所 2022-08-09 CN disclosed
CN-112057669-B Composite gel for treating and evaluating chronic wound and preparation method thereof 广西师范大学 2021-07-02 CN disclosed
CN-112057669-A Composite gel for treating and evaluating chronic wound and preparation method thereof 广西师范大学 2020-12-11 CN disclosed
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