SCHEMBL28005164

SCHEMBL28005164

S=C(c1ccccc1)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
METAP2 P50579 1/20 0.35
KEAP1 Q14145 1/20 0.35
CYP1A2 P05177 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NTSR1 P30989 1/20 0.33
LDHA P00338 1/20 0.32
MAP2K4 P45985 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
GAA P10253 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
SCHEMBL3225115 0.83 MEN1 (0.50) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL16800868 0.79 CYP1A2 (0.45) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL9438 0.79 CYP1A2 (0.48) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL28005157 0.79 METAP2 (0.32) METAP2MEN1KMT2ALMNAADORA3
Benzophenone SCHEMBL17224646 0.77 ALDH1A1 (0.50) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL842040 0.77 CYP1A2 (0.47) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL30636164 0.77 CYP1A2 (0.47) IDO1METAP2KEAP1CYP1A2RAB9A
Ammonia Solution, Strong SCHEMBL29843017 0.77 CYP1A2 (0.47) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL28309054 0.77 CYP1A2 (0.47) IDO1METAP2KEAP1CYP1A2RAB9A
SCHEMBL31519384 0.77 CYP1A2 (0.47) IDO1METAP2KEAP1CYP1A2RAB9A

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
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed