SCHEMBL9877901

SCHEMBL9877901

CCOC(=O)Cn1ncc(-c2cccc(C)c2)c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
S1PR1 P21453 1/20 0.57
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGIR P43119 2/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL9877095 0.90 SMN1; SMN2 (0.76) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL9877279 0.84 SMN1; SMN2 (0.68) SMN1; SMN2S1PR1TSHRALDH1A1HTT
SCHEMBL9878548 0.83 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1TSHRALDH1A1HTT
SCHEMBL9877275 0.83 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL9877383 0.83 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL5836730 0.83 MAPK14 (0.56) SMN1; SMN2S1PR1ALDH1A1KMT2AMEN1
SCHEMBL10557065 0.82 SMN1; SMN2 (0.56) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL9877360 0.82 SMN1; SMN2 (0.65) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL10414084 0.81 SMN1; SMN2 (0.61) SMN1; SMN2S1PR1TSHRALDH1A1POLB
SCHEMBL10401498 0.81 SMN1; SMN2 (0.64) SMN1; SMN2S1PR1TSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed