SCHEMBL2734459

SCHEMBL2734459

CC(C)(Cc1cccc(-c2ccccn2)c1)[Si](C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
FFAR1 O14842 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CETP P11597 1/20 0.40
HPGDS O60760 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL4402444 0.84 HRH3 (0.52) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL4472579 0.76 HRH3 (0.54) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL2615554 0.76 HRH3 (0.56) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL8270139 0.76 HRH3 (0.56) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL16215317 0.74 FFAR1 (0.51) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL16595748 0.74 FFAR1 (0.51) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL22387811 0.74 CYP1A2 (0.53) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL2482401 0.73 HRH3 (0.54) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL1139044 0.73 HRH3 (0.57) HRH3FFAR1CTSLCTSBCTSS
SCHEMBL18608262 0.73 SLC6A2 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290692-B2 Polymer light-emitting material, method for producing the same, and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-03-22 US disclosed
EP-2402413-B1 POLYMER LIGHT-EMITTING MATERIAL, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2015-07-22 EP disclosed
EP-2402413-A1 POLYMER LIGHT-EMITTING MATERIAL, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2012-01-04 EP disclosed