SCHEMBL8790210

SCHEMBL8790210

NCC(Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ATM Q13315 1/20 0.50
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL7093029 0.87 TAAR1 (0.50) MAPTLMNAGAANPSR1CYP1A2
SCHEMBL2520853 0.83 CNR1 (0.44) MAPTMEN1KMT2ALMNAGAA
SCHEMBL27874471 0.79 KMT2A (0.53) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10780978 0.78 ALDH1A1 (0.61) MAPTMEN1KMT2ALMNAGAA
SCHEMBL28968156 0.78 MAPT (0.52) MAPTMEN1KMT2ALMNAGAA
SCHEMBL31147710 0.77 MAPT (0.51) MAPTMEN1KMT2ALMNAGAA
SCHEMBL2328406 0.76 GAA (0.56) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL11194682 0.76 UTS2R (0.58) CYP2D6CYP2C9
SCHEMBL29286617 0.76 MAPT (0.53) MAPTMEN1KMT2ALMNAGAA
SCHEMBL27671499 0.76 MAPT (0.44) MAPTMEN1KMT2ALMNAGAA

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
EP-0772599-A1 2-IMIDAZOLIDINONE DERIVATIVES AS FUNGICIDES BAYER AG (DE) 1997-05-14 EP disclosed
WO-1996003386-A1 2-IMIDAZOLIDINONE DERIVATIVES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed