SCHEMBL9684646

SCHEMBL9684646

CCOCCOCCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
NCF1 P14598 4/20 0.39
MAOA P21397 1/20 0.37
PPOX P50336 3/20 0.36
NPC1 O15118 1/20 0.35
CSNK2A1 P68400 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9684658 0.88 L3MBTL1 (0.44) L3MBTL1MAOANPC1MEN1USP2
SCHEMBL9873170 0.84 NPC1 (0.37) L3MBTL1MAOAPPOXNPC1CSNK2A1
SCHEMBL8604315 0.84 CSNK2A1 (0.49) MAOAPPOXNPC1CSNK2A1MEN1
SCHEMBL8599602 0.84 PPOX (0.45) L3MBTL1MAOAPPOXNPC1MEN1
SCHEMBL8599263 0.83 GLA (0.50) L3MBTL1MAOAPPOXNPC1CSNK2A1
SCHEMBL8879337 0.83 L3MBTL1 (0.48) L3MBTL1MAOANPC1MEN1USP2
SCHEMBL9873744 0.82 MAOA (0.33) L3MBTL1NCF1MAOAPPOXNPC1
SCHEMBL8602962 0.81 SMN1; SMN2 (0.46) MAOAPPOXNPC1CSNK2A1MEN1
SCHEMBL9873603 0.81 ALDH1A1 (0.40) L3MBTL1MAOAPPOXNPC1MEN1
SCHEMBL17543904 0.79 HTR2C (0.44) MAOANPC1CSNK2A1GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118849-A Arylamines intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0349748-B1 SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES BAYER AG (DE) 1992-11-19 EP disclosed
US-5118849-A Arylamines intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-5039334-A Herbicidal and plant growth-regulating substituted N-aryl nitrogen heterocycles BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
EP-0349748-A1 Substituted N-aryl-nitrogen containing heterocycles BAYER AG (DE) 1990-01-10 EP disclosed