SCHEMBL15946178

SCHEMBL15946178

[2H]C(C)(C)c1ccccc1-n1c(-c2ccccc2)nc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
EGFR P00533 4/20 0.45
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL15946180 0.88 NLRP3 (0.39) GAAALDH1A1L3MBTL1NLRP3
SCHEMBL15946181 0.81 NLRP3 (0.37) GAAL3MBTL1NLRP3
SCHEMBL13299528 0.78 NLRP3 (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15940311 0.78 NLRP3 (0.40) GAAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL20776032 0.76 NPC1 (0.54) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2456887 0.74 ESR1 (0.51) RAB9ANPC1KDM4EGAAALDH1A1
SCHEMBL15940161 0.71 RAB9A (0.40) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15940168 0.71 ALDH1A1 (0.36) RAB9ANPC1EGFRKDM4EGAA
SCHEMBL3639865 0.69 KDM4E (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL541394 0.69 ALDH1A1 (0.68) NPC1KDM4ESMN1; SMN2ALDH1A1HTT

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
US-20140225069-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2014-08-14 US disclosed