SCHEMBL10158769

SCHEMBL10158769

CCc1ccc(Nc2cc(OC)ccc2C(=O)OC)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 17/20 0.55
AKR1C2 P52895 17/20 0.55
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CG P48736 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL902397 0.86 AKR1C3 (0.59) AKR1C3AKR1C2MEN1LMNAPOLB
SCHEMBL902692 0.79 AKR1C3 (0.64) AKR1C3AKR1C2MEN1LMNAMAPT
SCHEMBL902254 0.78 AKR1C3 (0.72) AKR1C3AKR1C2MEN1LMNAPOLB
SCHEMBL13469244 0.77 KDM4E (0.58) MEN1LMNAPOLBMAPTKMT2A
SCHEMBL4215631 0.77 AKR1C3 (0.65) AKR1C3AKR1C2MEN1LMNAPOLB
SCHEMBL295164 0.76 AKR1C3 (0.81) AKR1C3AKR1C2MAPT
SCHEMBL3484107 0.75 APLNR (0.46) POLBMAPTCYP1A2
SCHEMBL11070204 0.74 KDM4E (0.54) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2305885 0.73 KDM4E (0.57) AKR1C3AKR1C2KMT2AKDM4ECYP1A2
Ammonia Solution, Strong SCHEMBL10346000 0.73 APLNR (0.44) POLBMAPTCYP1A2

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-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 WO disclosed