SCHEMBL18236300

SCHEMBL18236300

O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.53
▸ MPL P40238 4/20 0.52
▸ ADORA3 P0DMS8 6/20 0.52
▸ KDM4A O75164 2/20 0.52
▸ KDM4B O94953 2/20 0.52
▸ KDM5B Q9UGL1 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GSTO1 P78417 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ KDM5C P41229 1/20 0.46
▸ F2 P00734 1/20 0.46

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
SCHEMBL18094534 0.82 LMNA (0.55) ADORA3LMNAMEN1MAPTKMT2A
SCHEMBL18230323 0.81 ADORA3 (0.79) GRM1ADORA3KDM4AKDM4BKDM5B
SCHEMBL18230481 0.81 STAT3 (0.47) LMNAMEN1MAPTHTTKMT2A
SCHEMBL18230436 0.80 GRM1 (0.61) GRM1MPLADORA3KDM4AKDM4B
SCHEMBL31265595 0.77 PARP1 (0.74) MPLADORA3LMNAGSTO1MEN1
SCHEMBL31134882 0.74 USP2 (0.54) MPLALDH1A1LMNAGSTO1MEN1
SCHEMBL18113883 0.73 ADORA3 (0.46) GRM1MPLADORA3KDM4AKDM4B
SCHEMBL4746841 0.73 ALDH1A1 (0.63) ADORA3ALDH1A1LMNAMEN1MAPT
SCHEMBL14102514 0.72 KMT2A (0.67) GRM1MPLALDH1A1LMNAMEN1
SCHEMBL21484872 0.72 ABL1 (0.53) GRM1MPLADORA3KDM4AKDM4B

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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