SCHEMBL8220410

SCHEMBL8220410

COC1CC(C(=O)Nc2ccc3c(c2)C(C)CN(C)C3)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.42
▸ CFD P00746 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ COL1A1 P02452 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL13104352 1.00 F10 (0.42) F10CFDKDM4EMEN1KMT2A
SCHEMBL12371503 0.91 F10 (0.41) F10CFDKDM4EMEN1KMT2A
SCHEMBL12101411 0.89 F10 (0.45) F10CFDKLKB1
SCHEMBL12371502 0.86 F10 (0.41) F10CFDKDM4EMEN1KMT2A
SCHEMBL8222128 0.86 F10 (0.43) F10CFDKDM4EMEN1KMT2A
SCHEMBL12101392 0.86 F10 (0.43) F10CFDKDM4EMEN1KMT2A
SCHEMBL12892314 0.86 F10 (0.43) F10CFDKDM4EMEN1KMT2A
SCHEMBL13104233 0.83 F10 (0.42) F10CFDKDM4EMEN1KMT2A
SCHEMBL12101402 0.83 F10 (0.51) F10CFDKLKB1TSHR
SCHEMBL12101303 0.83 F10 (0.52) F10CFDKLKB1TSHR

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
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 — — WO disclosed
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