SCHEMBL18230443

SCHEMBL18230443

O=C(Nc1nc(-c2ccccn2)c(C(=O)N2CCCCC2)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 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
SCHEMBL18230336 0.91 LRRK2 (0.48) TRPV1MEN1KMT2AMAPTL3MBTL1
SCHEMBL18230291 0.84 ADORA1 (0.57) TRPV1MEN1KMT2AMAPTKDM4E
SCHEMBL18230217 0.82 TRPV1 (0.54) TRPV1MEN1KMT2AMAPTKDM4E
SCHEMBL24358156 0.82 MAP3K12 (0.47) KDM4EALDH1A1HPGDLMNA
SCHEMBL30745724 0.82 MAP3K12 (0.47) KDM4EALDH1A1HPGDLMNA
SCHEMBL18230521 0.81 TRPV1 (0.59) TRPV1MEN1KMT2AMAPTKDM4E
SCHEMBL18230379 0.81 ADORA2A (0.71) TRPV1MEN1KMT2AMAPTADORA2A
SCHEMBL18230442 0.81 TRPV1 (0.52) TRPV1MEN1KMT2AMAPTKDM4E
SCHEMBL24357968 0.81 MAP3K12 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18230320 0.80 ADORA2A (0.70) TRPV1MEN1KMT2AMAPTKDM4E

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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