SCHEMBL9253485

SCHEMBL9253485

Cn1nc(-c2ccc(Cl)c(Cl)c2)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
AHR P35869 1/20 0.43
KMT2A Q03164 2/20 0.42
MAP3K14 Q99558 2/20 0.41
KMO O15229 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 4/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40

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
SCHEMBL10469336 0.81 HSD11B1 (0.48) HSD11B1SIGMAR1AHRKMT2AMAP3K14
SCHEMBL7659590 0.81 PPP1CA (0.50) HSD11B1MAP3K14POLBHTTMAPT
SCHEMBL9259478 0.80 NOTUM (0.50) HSD11B1KMT2APOLBHTTMAPT
SCHEMBL9265715 0.75 ALDH1A1 (0.55) HSD11B1AHRKMT2APOLBHTT
SCHEMBL7652843 0.72 NR1H2 (0.50) HSD11B1KMT2AMAPTNPC1RAB9A
SCHEMBL9196239 0.71 HSD11B1 (0.61) HSD11B1KMT2AHTTMEN1NPC1
SCHEMBL11182399 0.69 HSD11B1 (0.43) HSD11B1SIGMAR1AHRKMT2AMAP3K14
SCHEMBL22815745 0.69 HSD11B1 (0.60) HSD11B1SIGMAR1AHRKMT2AKMO
SCHEMBL10563793 0.69 AHR (0.43) HSD11B1AHRKMT2AHTTMAPT
SCHEMBL2183068 0.68 TDP2 (0.74) KMT2APOLBHTTMAPTMEN1

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
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US claimed
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed