SCHEMBL18230400

SCHEMBL18230400

O=C(Nc1nc(-c2ccccn2)c(N2CCOCC2)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.56
▸ LRRK2 Q5S007 3/20 0.54
▸ MAPT P10636 2/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SCN9A Q15858 2/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ ROCK2 O75116 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MITF O75030 1/20 0.45

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
SCHEMBL18230420 0.89 TRPV4 (0.70) TRPV4LRRK2MAPTSMN1; SMN2SCN9A
SCHEMBL18230451 0.87 TRPV4 (0.59) TRPV4MAPTSMN1; SMN2TRPV1ADORA2A
SCHEMBL18230336 0.85 LRRK2 (0.48) TRPV4LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18230465 0.81 TRPV1 (0.48) LRRK2MAPTSMN1; SMN2SCN9ASCN5A
SCHEMBL18230473 0.81 TRPV1 (0.50) TRPV4MAPTSTAT3SMN1; SMN2TRPV1
SCHEMBL18230379 0.81 ADORA2A (0.71) MAPTSTAT3SMN1; SMN2TRPV1ADORA2A
SCHEMBL18230521 0.81 TRPV1 (0.59) MAPTSTAT3SMN1; SMN2TRPV1ADORA2A
SCHEMBL18230474 0.80 TRPV1 (0.52) TRPV4MAPTSMN1; SMN2TRPV1ADORA2A
SCHEMBL18230280 0.80 TRPV1 (0.58) MAPTSTAT3SMN1; SMN2TRPV1ADORA2A
SCHEMBL18230245 0.79 TRPV1 (0.57) MAPTSTAT3SMN1; SMN2TRPV1ADORA2A

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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