SCHEMBL11848610

SCHEMBL11848610

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.64
▸ RAD52 P43351 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ PABPC1 P11940 1/20 0.64
▸ S1PR1 P21453 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ PAX8 Q06710 1/20 0.64
▸ LMNA P02545 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HTR1A P08908 6/20 0.59
▸ DRD2 P14416 6/20 0.59
▸ HTR2A P28223 6/20 0.59
▸ HTR6 P50406 6/20 0.59
▸ HTR7 P34969 6/20 0.59
▸ PLK1 P53350 1/20 0.54

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
SCHEMBL31232867 0.89 HTR1A (0.60) POLBHTR1A
SCHEMBL11632287 0.84 HTR7 (0.70) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11631848 0.83 KDM4E (0.86) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11630456 0.83 HTR1A (0.71) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11636824 0.81 L3MBTL1 (0.49) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11835734 0.81 KDM4E (0.65) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11631571 0.81 HTR1A (0.85) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL31232796 0.79 SMN1; SMN2 (0.62) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11842208 0.79 KDM4E (0.61) KDM4ERAD52MEN1POLBKMT2A
SCHEMBL11441512 0.79 MEN1 (0.83) KDM4ERAD52MEN1POLBKMT2A

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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