SCHEMBL2463207

SCHEMBL2463207

C[Si](C)(C)C1C=C(Cc2ccccn2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
SYK P43405 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH1 P35367 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4309225 0.87 HRH3 (0.41) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL6910596 0.84 HTR6 (0.36) HRH3CHRM2CHRM1HTR6
SCHEMBL15061864 0.78 HRH3 (0.37) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL7781755 0.77 HTR6 (0.40) HRH3CHRM2CHRM1HTR6
SCHEMBL5788565 0.77 CYP1A2 (0.35) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL2354448 0.75 HTR6 (0.57) HRH3LMNAALDH1A1L3MBTL1MEN1
SCHEMBL27943263 0.73 HTR6 (0.60) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL5004055 0.71 HTR6 (0.38) HRH3LMNAALDH1A1TAAR1L3MBTL1
SCHEMBL5003994 0.70 MAPT (0.41) LMNAALDH1A1TAAR1MEN1KMT2A
SCHEMBL5000284 0.70 L3MBTL1 (0.37) HRH3LMNAALDH1A1TAAR1ALOX15

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
WO-2011109241-A1 ACTIVATION OF MONOCYCLOPENTADIENYL GROUP 6 COMLEXES EQUISTAR CHEMICALS LP (US) 2011-09-09 WO disclosed
US-20110213107-A1 Activation of monocyclopentadienyl group 6 complexes EQUISTAR CHEMICALS, LP 2011-09-01 US disclosed
US-20110213107-A1 Activation of monocyclopentadienyl group 6 complexes EQUISTAR CHEMICALS, LP 2011-09-01 US disclosed