SCHEMBL28523508

SCHEMBL28523508

CCC1(C)C=CC=C(Nc2ccc(N)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NR4A1 P22736 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAD52 P43351 1/20 0.32
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
APP P05067 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
SNCA P37840 1/20 0.30
BLM P54132 1/20 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
SCHEMBL9010708 0.73
SCHEMBL28399846 0.73
SCHEMBL11703711 0.68
SCHEMBL27594429 0.65 CYP19A1 (0.31) CYP19A1
SCHEMBL11707987 0.65
SCHEMBL7025911 0.63 KDM4E (0.30) CYP2C19KDM4E
SCHEMBL31281258 0.63
SCHEMBL27514186 0.63
SCHEMBL28547994 0.62
SCHEMBL5428343 0.60 MAPT (0.78) MAPTALDH1A1NR4A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107835841-B Crystallization-retarded polymer composition, additive composition influencing crystallization behavior and use, method for reducing crystallization point 弗劳恩霍弗应用研究促进协会 2021-01-05 CN disclosed