SCHEMBL11671783

SCHEMBL11671783

CCC(CN(CC)c1ccccc1)OC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PPARG P37231 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36

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
SCHEMBL11670540 0.91 TDP1 (0.40) KMT2AMEN1SMN1; SMN2MAPTLMNA
Benzene SCHEMBL11703966 0.89 CNR2 (0.40) SMN1; SMN2MAPTLMNAL3MBTL1NPC1
SCHEMBL11671481 0.89 MAPT (0.41) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL11672528 0.89 CNR1 (0.41) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL11671807 0.89 MAPT (0.40) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL11671437 0.88 RAB9A (0.46) KMT2AMEN1SMN1; SMN2PPARGPPARA
SCHEMBL11671695 0.87 KMT2A (0.43) KMT2AGAAMAPTTAAR1NPC1
SCHEMBL11670393 0.87 KMT2A (0.43) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL11672710 0.87 MEN1 (0.40) KMT2AMEN1HTTPPARGPPARA
SCHEMBL11698804 0.85 KMT2A (0.38) KMT2AMEN1SMN1; SMN2GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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