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SCHEMBL27700249

SCHEMBL27700249

CC(CO)C(N)c1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(C(=O)C1NCc4c(Cl)ccc(-c5cc6cc(C(N)C(C)CO)ccc6n5C(=O)OC(C)(C)C)c41)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ NR1H2 P55055 12/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ NR1H3 Q13133 2/20 0.31
▸ ATR Q13535 1/20 0.30
▸ ATRIP Q8WXE1 1/20 0.30

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
SCHEMBL27700325 0.90 BRD4 (0.35) BRD4CREBBPNR1H2TRPV3NR1H3
SCHEMBL27700204 0.89 BRD4 (0.34) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL27700283 0.88 NR1H2 (0.34) BRD4CREBBPNR1H2NR1H3
SCHEMBL27720773 0.88 BRD4 (0.36) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL27700173 0.87 NR1H2 (0.35) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL28768687 0.87 BRD4 (0.34) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL27720733 0.86 BRD4 (0.34) BRD4CREBBPNR1H2NR1H3
SCHEMBL27700235 0.85 BRD4 (0.33) BRD4CREBBPNR1H2NR1H3
SCHEMBL27700210 0.84 NR1H2 (0.33) BRD4CREBBPNR1H2NR1H3ATR
SCHEMBL5050608 0.83 BRD4 (0.35) BRD4CREBBPNR1H2TRPV3NR1H3

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
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 — — CN disclosed