SCHEMBL20632425

SCHEMBL20632425

C=C(Nc1nncs1)N1CCCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.37
▸ SCN9A Q15858 2/20 0.35
▸ FYN P06241 1/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ AR P10275 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL20633233 0.87 KMT2A (0.36) FYNTRPA1TRPV3TRPV4ADORA2A
SCHEMBL20632804 0.85 KDM1A (0.38) SCN9AFYNTRPA1TRPV3TRPV4
SCHEMBL20632477 0.83 KDM1A (0.34) SCN9ATRPV3ITGB3ITGA2BKDM1A
SCHEMBL20633441 0.82 FYN (0.39) FYNTRPV4KDM1A
SCHEMBL20633005 0.82 LMNA (0.38) FYNKDM1ACNR2
SCHEMBL20632024 0.82 RHOA (0.47) FYNARCFTRITGB3ITGA2B
SCHEMBL20632705 0.82 PHGDH (0.41) TRPV3KDM1ACNR2
SCHEMBL20632673 0.82 CA2 (0.36) FYNCFTRADORA2AKDM1ACNR2
SCHEMBL20632358 0.81 KDM1A (0.33) SCN9ATRPV3KDM1ACNR2
SCHEMBL20633162 0.81 AURKA (0.38) FYNKDM1A

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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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