SCHEMBL9684658

SCHEMBL9684658

COCCOCCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 2/20 0.44
PLAU P00749 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 3/20 0.37
MAOA P21397 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8879337 0.95 L3MBTL1 (0.48) L3MBTL1POLBPLAUNPC1ALDH1A1
SCHEMBL9684646 0.88 L3MBTL1 (0.39) L3MBTL1POLBNPC1ALDH1A1HPGD
SCHEMBL9685009 0.86 EGFR (0.34) L3MBTL1POLBPLAUNPC1ALDH1A1
SCHEMBL9873744 0.82 MAOA (0.33) L3MBTL1POLBNPC1ALDH1A1HPGD
SCHEMBL23915572 0.82 L3MBTL1 (0.53) L3MBTL1POLBPLAUNPC1ALDH1A1
SCHEMBL9872059 0.81 NPC1 (0.43) L3MBTL1POLBNPC1ALDH1A1HPGD
SCHEMBL8604315 0.81 CSNK2A1 (0.49) POLBNPC1ALDH1A1MAPTMEN1
SCHEMBL9873603 0.81 ALDH1A1 (0.40) L3MBTL1POLBNPC1ALDH1A1HPGD
SCHEMBL8599263 0.80 GLA (0.50) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL17543904 0.79 HTR2C (0.44) NPC1SMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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