SCHEMBL4802429

SCHEMBL4802429

CN(C)C(=O)c1ccc(Nc2cc(-c3ccc(Cl)cc3)ccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
CYP3A4 P08684 4/20 0.55
USP2 O75604 3/20 0.55
CYP2C19 P33261 2/20 0.55
CLK4 Q9HAZ1 4/20 0.53
CYP2C9 P11712 2/20 0.53
MAPK10 P53779 4/20 0.53
MAPK9 P45984 1/20 0.53
CNR1 P21554 1/20 0.50
CSNK2A1 P68400 1/20 0.50
MAPKAPK2 P49137 2/20 0.48
LMNA P02545 3/20 0.47
CYP2D6 P10635 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4803502 0.84 MAP4K4 (0.65) MAPK10CNR1MAPKAPK2MAP4K4MAPK8
SCHEMBL4066872 0.77 PIK3CA (0.62) CYP1A2CYP3A4USP2CYP2C19CLK4
SCHEMBL22259649 0.77 HPGD (0.53) CYP1A2CYP3A4CYP2C19CLK4CYP2C9
SCHEMBL14254321 0.72 MAPK10 (0.53) CYP1A2CLK4CYP2C9MAPK10MAPK9
SCHEMBL4541615 0.72 MAPKAPK2 (0.54) CNR1MAPKAPK2GRM5
SCHEMBL3630523 0.72 ALDH1A1 (0.59) CYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL21312135 0.71 MAPK10 (0.64) USP2MAPK10MAPKAPK2LMNAALDH1A1
SCHEMBL3512536 0.70 CYP1A2 (0.55) CYP1A2CLK4CYP2C9MAPK10MAPK9
SCHEMBL8351036 0.69 MAPK8 (0.66) MAPK10LMNAMAPK8
SCHEMBL1518709 0.69 RECQL (0.52) CYP1A2CLK4CYP2C9MAPK10LMNA

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-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed