SCHEMBL19670264

SCHEMBL19670264

Cc1ccc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4C4CCC43)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ RAF1 P04049 2/20 0.42
▸ KDM1A O60341 2/20 0.41
▸ FYN P06241 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19365836 0.91 MAPT (0.49) MAPTRAF1KDM1AFYNMEN1
SCHEMBL19365389 0.87 FYN (0.44) MAPTRAF1KDM1AFYNBRAF
SCHEMBL19365580 0.85 MAPT (0.43) MAPTRAF1KDM1AFYNBRAF
SCHEMBL19706075 0.82 KDM1A (0.43) MAPTKDM1AJAK2
SCHEMBL19365739 0.81 CA2 (0.51) MAPTKDM1A
SCHEMBL17618788 0.81 MEN1 (0.46) MAPTRAF1FYNMEN1KMT2A
SCHEMBL19706288 0.81 POLB (0.48) MEN1KMT2APOLBTRPV1
SCHEMBL19365711 0.80 KDM1A (0.42) MAPTKDM1ABRAFJAK2TRPV1
SCHEMBL19365690 0.80 FYN (0.38) MAPTKDM1AFYNMEN1KMT2A
SCHEMBL19670436 0.80 RHOA (0.42) MAPTKDM1AFYNBRAFJAK2

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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