SCHEMBL9877477

SCHEMBL9877477

O=C(O)Cn1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.67
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL7779615 0.87 PTGIR (0.53) PTGIRPTGS2
SCHEMBL7777316 0.87 PTGS2 (0.60) PTGIRPTGS2PTGDR2
SCHEMBL9095168 0.87 PTGS2 (0.60) PTGIRPTGS2PTGDR2
SCHEMBL10358778 0.86 PTGIR (0.51) PTGIRHSD17B10ALOX15MEN1KMT2A
SCHEMBL11493472 0.84 PTGIR (0.81) PTGIRHSD17B10MEN1KMT2APTGS2
SCHEMBL11493056 0.83 HSD17B10 (0.49) PTGIRHSD17B10ALOX15MEN1KMT2A
SCHEMBL11484651 0.83 PTGIR (0.66) PTGIRHSD17B10MEN1KMT2APTGS2
SCHEMBL9877233 0.81 MEN1 (0.56) PTGIRMEN1KMT2AKDM4EALDH1A1
Ethane SCHEMBL11621863 0.81 HSD17B10 (0.47) PTGIRHSD17B10ALOX15MEN1KMT2A
SCHEMBL8104423 0.80 PTGIR (1.00) PTGIRHSD17B10MEN1KMT2AKDM4E

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-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US 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