SCHEMBL18230284

SCHEMBL18230284

N#Cc1sc(NC(=O)c2cc(C(F)(F)F)cc(Cl)c2F)nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CBFB Q13951 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ NCS1 P62166 1/20 0.37

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
SCHEMBL18230361 0.85 ADORA3 (0.46) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL18230321 0.84 ADORA2A (0.48) ADORA2AADORA1MAPTHTTSMN1; SMN2
SCHEMBL18230503 0.83 ADORA2A (0.45) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL18230296 0.82 TRPV1 (0.54) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL18230513 0.82 TLR7 (0.49) ADORA2AADORA1POLBMAPTLMNA
SCHEMBL18230342 0.81 ADORA2A (0.44) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL18230353 0.81 PTGES (0.49) ADORA2AADORA1MEN1KMT2APOLB
SCHEMBL18230414 0.79 ADORA2A (0.51) ADORA2AADORA1MAPTHTTSMN1; SMN2
SCHEMBL18230392 0.79 ADORA3 (0.51) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL18094581 0.79 USP36 (0.45) MEN1KMT2APOLBPPARGNR2E3

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

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