SCHEMBL19365708

SCHEMBL19365708

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KIT P10721 3/20 0.37
▸ LCK P06239 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL19365254 0.92 HTR2C (0.47) MAPTKITHTR2AHTR2CMEN1
SCHEMBL19365595 0.91 MAPT (0.38) MAPTCA2CA9DHODHHTR2A
SCHEMBL19365904 0.91 MAPT (0.43) MAPTCA2CA9FYNMEN1
SCHEMBL19365498 0.87 HTR2C (0.46) MAPTKITHTR2AHTR2CMEN1
SCHEMBL19670418 0.86 MPL (0.42) MAPTCA2CA9FYNKDM1A
SCHEMBL19365468 0.86 CA2 (0.39) MAPTCA2CA9KDRMEN1
SCHEMBL19865057 0.86 RHOA (0.41) MAPTCA2CA9HTR2CFYN
SCHEMBL19365457 0.86 MAPT (0.38) MAPTCA2CA9DHODHKIT
SCHEMBL12959003 0.85 HTR2C (0.44) MAPTCA2CA9DHODHKIT
SCHEMBL19365368 0.85 TRPA1 (0.38) MAPTCA2CA9KDM1AMAOA

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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