SCHEMBL19670251

SCHEMBL19670251

CCN1CC[C@@H](C)N(C(=O)Nc2ccc3c(cnn3C)c2)c2nc(-c3cccc(N4CCCC4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 7/20 0.39
▸ MLLT3 P42568 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 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
SCHEMBL19365640 0.91 MLLT1 (0.37) MLLT1MLLT3CREBBPMAOBMAOA
SCHEMBL19670225 0.87 MLLT1 (0.38) MLLT1MLLT3CREBBPMAOBMAOA
SCHEMBL19670253 0.87 MLLT1 (0.38) MLLT1MLLT3CREBBPMAOBMAOA
SCHEMBL19670386 0.85 CACNA1H (0.37) MLLT1MLLT3CREBBPNOTUM
SCHEMBL19670393 0.85 ABL1 (0.42) ALDH1A1MAPTTRPV3ABL1BCR
SCHEMBL17618503 0.84 CREBBP (0.37) MLLT1CREBBPMAOBMAOAACHE
SCHEMBL19670429 0.82 BRAF (0.40) CREBBPNPC1RAB9ACNR1
SCHEMBL19670432 0.82 TRPV3 (0.34) CREBBPNPC1RAB9ATRPV3ABL1
SCHEMBL19669985 0.81 KARS1 (0.43) TRPV3ABL1BCR
SCHEMBL19670242 0.80 SLC27A1 (0.35) NPC1ALDH1A1MAPTRAB9ATRPV3

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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