SCHEMBL20633441

SCHEMBL20633441

C=C(Nc1cccc(-c2ccccc2)c1)N1CCCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ TRPV4 Q9HBA0 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35

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
SCHEMBL20633162 0.93 AURKA (0.38) FYNMAPTMEN1ALDH1A1KMT2A
SCHEMBL20632643 0.92 CSF1R (0.38) FYNMEN1ALDH1A1KMT2ARHOA
SCHEMBL20632046 0.92 CYP1A2 (0.43) FYNMAPTMAPK1MEN1ALDH1A1
SCHEMBL20633005 0.91 LMNA (0.38) FYNMAPTMEN1ALDH1A1KMT2A
SCHEMBL20633401 0.91 HTR2C (0.42) FYNMAPTMAPK1MEN1KMT2A
SCHEMBL20632024 0.89 RHOA (0.47) FYNMAPTMAPK1CCKBRRHOA
SCHEMBL20632673 0.87 CA2 (0.36) FYNMAPTMAPK1ALDH1A1CNR1
SCHEMBL20632193 0.87 FYN (0.37) FYNMAPK1MEN1KMT2ARHOA
SCHEMBL20632070 0.86 BRAF (0.34) FYNMAPTALDH1A1LMNANPC1
SCHEMBL20632922 0.86 KDM4E (0.36) FYNMAPTMEN1ALDH1A1KMT2A

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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