SCHEMBL11848412

SCHEMBL11848412

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.68
▸ MAPT P10636 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ HPGD P15428 1/20 0.68
▸ GAA P10253 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ UBE2N P61088 1/20 0.63
▸ RAD52 P43351 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ADRA1D P25100 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ ADRA1B P35368 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 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
SCHEMBL11834897 0.88 KDM4E (0.76) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11630456 0.85 HTR1A (0.71) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11841247 0.81 KDM4E (0.68) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11632652 0.81 NPSR1 (0.67) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11836334 0.81 MEN1 (0.64) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11838114 0.80 KDM4E (0.67) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11842208 0.80 KDM4E (0.61) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11830608 0.80 KDM4E (0.59) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11632587 0.80 L3MBTL1 (0.50) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL11623083 0.79 HEXA (0.74) KDM4EMAPTLMNAALDH1A1RAB9A

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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