SCHEMBL11650976

SCHEMBL11650976

[O-][S+]1Nc2ccccc2-c2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PDGFRA P16234 1/20 0.30
FER P16591 1/20 0.30
LTK P29376 1/20 0.30
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30
LRRK2 Q5S007 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL11701479 0.70 CA12 (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL31038442 0.68 RAD52 (0.36)
SCHEMBL18488821 0.65 ALDH1A1 (0.33)
SCHEMBL11591312 0.64
SCHEMBL6395416 0.63 GAA (0.33) MAOA
SCHEMBL29259088 0.63
SCHEMBL342511 0.62 GAA (0.40) MAOAMAOBPDGFRAFERLTK
SCHEMBL29610326 0.62 GAA (0.40) MAOAMAOBPDGFRAFERLTK
SCHEMBL6679549 0.61 LRRK2 (0.35) MAOAMAOBPDGFRAFERLTK
SCHEMBL1618358 0.61 MAOA (0.42) MAOAMAOBPDGFRAFERLTK

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
US-4069013-A Anti-dusting formulations CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed