SCHEMBL30101413

SCHEMBL30101413

CCCc1ccccn1.[Si]

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
HRH3 Q9Y5N1 2/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
PGK1 P00558 1/20 0.47
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL10527 0.98
SCHEMBL29583126 0.98
Bromide SCHEMBL14801933 0.95 HRH1 (0.59) HRH1HRH3ALDH1A1LMNATAAR1
Iodide SCHEMBL22551708 0.95 HRH1 (0.59) HRH1HRH3ALDH1A1LMNATAAR1
Hydrochloric Acid SCHEMBL28050227 0.95 ALDH1A1 (0.62) HRH1HRH3ALDH1A1LMNATAAR1
Ammonia Solution, Strong SCHEMBL1509120 0.95 HRH1 (0.59) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL11564094 0.95 HRH1 (0.59) HRH1HRH3ALDH1A1LMNATAAR1
Methylamine SCHEMBL4067487 0.93 HRH1 (0.63) HRH1HRH3ALDH1A1LMNATAAR1
Bromide SCHEMBL28271951 0.93 HRH1 (0.57) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL123540 0.91 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1

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-115109212-A Application of heteropoly acid and heteropoly acid salt as catalyst in catalytic preparation of o-cresol novolac resin 山东海科创新研究院有限公司 2022-09-27 CN disclosed