SCHEMBL96649

SCHEMBL96649

COc1ccc(C=O)c2c1N(C(I)c1ccccc1)C(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ SRD5A2 P31213 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL96332 0.76 ALDH1A1 (0.38) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL97250 0.75 BRD4 (0.48) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5297293 0.74 BRD4 (0.47) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5297286 0.74 BRD4 (0.46) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL98450 0.73 ALDH1A1 (0.37) NPC1POLBRAB9AKMT2AATM
SCHEMBL5289604 0.70 BRD4 (0.43) NPC1POLBRAB9APDE4APDE4B
SCHEMBL98006 0.67 PARP1 (0.32) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL98191 0.65 MTNR1A (0.34) KMT2AATMALDH1A1MTNR1AMTNR1B
SCHEMBL19337380 0.62 ALDH1A1 (0.46) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL12035686 0.62 ALDH1A1 (0.46) NPC1POLBRAB9AKMT2AALDH1A1

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-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
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