SCHEMBL23320477

SCHEMBL23320477

O=C(NCCc1ccncc1)Nc1ccc2c(C(=O)O)noc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.60
▸ KDM4E B2RXH2 1/20 0.54
▸ ROCK2 O75116 3/20 0.52
▸ ROCK1 Q13464 2/20 0.52
▸ PRMT3 O60678 1/20 0.50
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL23320512 0.89 NAMPT (0.74) NAMPTROCK2ROCK1RAB9AALDH1A1
SCHEMBL23320516 0.86 NAMPT (0.82) NAMPTKDM4EROCK2ROCK1PRMT3
SCHEMBL28620099 0.77 NAMPT (0.73) NAMPTRAB9AKMT2AALDH1A1
SCHEMBL23320480 0.76 ALDH1A1 (0.53) NAMPTROCK2ROCK1MEN1KMT2A
SCHEMBL23320444 0.75 NAMPT (1.00) NAMPTPRMT3RAB9AKMT2AALDH1A1
SCHEMBL11615935 0.73 ROCK2 (0.79) NAMPTKDM4EROCK2ROCK1PRMT3
SCHEMBL30943224 0.72 NAMPT (0.84) NAMPTROCK2ROCK1
SCHEMBL24042554 0.72 NAMPT (0.84) NAMPTROCK2ROCK1
SCHEMBL18317382 0.72 KDM4E (0.76) NAMPTKDM4EROCK2ROCK1PRMT3
SCHEMBL23320402 0.72 NAMPT (0.81) NAMPTKDM4EROCK2ROCK1PRMT3

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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