SCHEMBL11830608

SCHEMBL11830608

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ RAD52 P43351 1/20 0.59
▸ POLB P06746 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ LMNA P02545 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ GAA P10253 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL11632652 0.88 NPSR1 (0.67) KDM4ERAD52POLBRXFP1LMNA
SCHEMBL11848412 0.80 KDM4E (0.68) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL11631244 0.80 L3MBTL1 (0.50) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL11837583 0.79 RAD52 (0.69) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL11623083 0.79 HEXA (0.74) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL6272682 0.78 MAPT (0.73) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL11834897 0.78 KDM4E (0.76) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL11838190 0.78 HTR1A (0.54) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL6275487 0.77 KDM4E (0.69) KDM4ERAD52POLBRXFP1MEN1
SCHEMBL4419316 0.77 ADRA1D (0.74) —

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-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 — — US disclosed
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