SCHEMBL20633005

SCHEMBL20633005

C=C(Nc1cccc(C(F)(F)F)c1)N1CCCN(C)c2ccc(-c3cccc(C(C)(C)F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ IDH2 P48735 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CCKBR P32239 1/20 0.34

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
SCHEMBL20632193 0.92 FYN (0.37) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20633441 0.91 FYN (0.39) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20633162 0.90 AURKA (0.38) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20632995 0.89 GRIN1 (0.31) —
SCHEMBL20632245 0.89 LRRK2 (0.33) NTRK1KDM1A
SCHEMBL20632430 0.89 HTR2C (0.40) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL20632265 0.89 BRAF (0.31) RAF1BRAF
SCHEMBL20632046 0.88 CYP1A2 (0.43) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20632643 0.88 CSF1R (0.38) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20632313 0.88 PHGDH (0.33) NPC1RAB9ACNR1CNR2

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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