SCHEMBL9877815

SCHEMBL9877815

COc1ccc(-c2c(-c3ccccc3Cl)cnn2CC(=O)NCCCNC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR139 Q6DWJ6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
NPBWR1 P48145 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 3/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36

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
SCHEMBL9878029 0.84 NPC1 (0.40) NPC1RAB9AGPR139SMN1; SMN2MEN1
SCHEMBL9877735 0.82 PTGIR (0.48) RAB9AGPR139SMN1; SMN2ALDH1A1TP53
SCHEMBL9878718 0.76 PTGIR (0.47) RAB9AGPR139SMN1; SMN2ALDH1A1TP53
SCHEMBL9877992 0.75 MAPK1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9876957 0.71 GFER (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10359077 0.71 PTGIR (0.49) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL9877935 0.70 PTGIR (0.53) RAB9ASMN1; SMN2KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL9877187 0.70 PTGIR (0.48) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL9877727 0.69 GFER (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10359758 0.69 PTGIR (0.49) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT

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