SCHEMBL9541791

SCHEMBL9541791

O=C1Cc2ccccc2N1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 3/20 0.58
MAPT P10636 3/20 0.57
CYP1A2 P05177 2/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 2/20 0.57
APAF1 O14727 2/20 0.57
ALDH1A1 P00352 2/20 0.57
BCHE P06276 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
ACHE P22303 1/20 0.57
CES1 P23141 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 6/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
MEN1 O00255 5/20 0.53

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
SCHEMBL30597487 0.83 POLB (0.73) MAPTCYP1A2APAF1ALDH1A1HSD17B10
SCHEMBL578257 0.83 POLB (0.73) MAPTCYP1A2APAF1ALDH1A1HSD17B10
SCHEMBL24270340 0.81 KMT2A (0.72) MAPTTP53TSHRAPAF1ALDH1A1
SCHEMBL14938439 0.77 MEN1 (0.71) MDH2MAPTTP53APAF1ALDH1A1
SCHEMBL1183718 0.77 MDH2 (0.52) MDH2MAPTCYP1A2TP53TSHR
SCHEMBL6778502 0.76 MAPT (0.49) MDH2MAPTCYP1A2TP53TSHR
SCHEMBL5766969 0.75 KMT2A (0.73) MDH2MAPTCYP1A2TP53TSHR
Pyrimidine SCHEMBL28042274 0.74 POLB (0.60) MAPTCYP1A2APAF1ALDH1A1KMT2A
SCHEMBL28015667 0.74 MEN1 (0.49) MAPTCYP1A2APAF1ALDH1A1KMT2A
SCHEMBL5394439 0.73 HTR7 (0.53) MAPTAPAF1ALDH1A1KMT2ADRD2

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
WO-1993012786-A1 INDOLINONE DERIVATIVES HOWARD HARRY R JR (US) 1993-07-08 WO disclosed