SCHEMBL6969929

SCHEMBL6969929

[O]N1Cc2ccccc2S1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 6/20 0.40
HSD17B3 P37058 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL6185179 0.73 RYR2 (0.36) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL29463396 0.73 MAOA (0.40) RYR2HSD17B3NOTUMALDH1A1HPGD
SCHEMBL11118465 0.73 RYR2 (0.40) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL17043256 0.73 RYR2 (0.36) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL31146716 0.73 RYR2 (0.36) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL17185647 0.73 RYR2 (0.36) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL3894929 0.73 RYR2 (0.36) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL19674181 0.73 RYR2 (0.40) RYR2HSD17B3RXFP1NOTUMKMT2A
SCHEMBL11217635 0.73 MAOA (0.40) RYR2HSD17B3NOTUMALDH1A1HPGD
SCHEMBL8521754 0.72 RYR2 (0.37) RYR2HSD17B3RXFP1NOTUMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5716974-A TREATING FUNGAL PLANT DISEASES ISAGRO S.P.A. (IT) 1998-02-10 US disclosed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP disclosed