SCHEMBL28279653

SCHEMBL28279653

Nc1c(C(=O)c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK14 Q16539 2/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
ADORA1 P30542 1/20 0.46
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C3 P42330 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43

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
SCHEMBL2462914 0.84 MEN1 (0.60) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL27514569 0.84 ALDH1A1 (0.56) ALDH1A1MAPK14MAPTGAAADORA1
SCHEMBL1666409 0.83 ALDH1A1 (0.54) ALDH1A1MAPTGAACYP2C8CYP2C9
SCHEMBL27688215 0.81 ALDH1A1 (0.53) ALDH1A1MAPK14MAPTGAAADORA1
SCHEMBL22144867 0.81 MAPT (0.45) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL20259159 0.81 MEN1 (0.45) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7511521 0.80 MAPK14 (0.46) ALDH1A1MAPK14MAPTGAAADORA1
SCHEMBL6321237 0.79 ALDH1A1 (0.54) ALDH1A1MAPK14MAPTGAAADORA1
SCHEMBL8770405 0.78 MAPT (0.74) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL2333980 0.77 ALDH1A1 (0.56) ALDH1A1MAPK14MAPTGAAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110527157-A Rubber composition for tire tread and pneumatic tire SUMITOMO RUBBER IND 2019-12-03 CN disclosed
CN-110461893-A The manufacturing method of conjugated diene polymer and conjugated diene polymer SUMITOMO CHEMICAL CO 2019-11-15 CN disclosed
CN-110198978-A Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2019-09-03 CN disclosed
CN-109563186-A METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING POLYMER COMPOSITION 住友化学株式会社 2019-04-02 CN disclosed