SCHEMBL9195201

SCHEMBL9195201

NC(=O)COc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1D P28221 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
SFN P31947 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6203335 1.00 HTT (0.53) HTTKDM4EMRGPRX4MAPTCASP1
SCHEMBL1032879 0.85 KDM4E (0.61) HTTKDM4EMAPTTSHRTDP1
SCHEMBL692136 0.84 KMT2A (0.65) KDM4EMRGPRX4MAPTCASP1TSHR
SCHEMBL9722695 0.84 MRGPRX4 (0.51) KDM4EMRGPRX4MAPTTP53CYP1A2
SCHEMBL27191874 0.83 HTT (0.50) HTTKDM4EMAPTCASP1TDP1
SCHEMBL5235490 0.82 MRGPRX4 (0.50) KDM4EMRGPRX4MAPTTP53CYP1A2
Ammonia Solution, Strong SCHEMBL27869911 0.82 KMT2A (0.62) KDM4EMRGPRX4MAPTCASP1TSHR
SCHEMBL27744360 0.82 KMT2A (0.62) KDM4EMRGPRX4MAPTCASP1TSHR
Water SCHEMBL28856010 0.82 KMT2A (0.62) KDM4EMRGPRX4MAPTCASP1TSHR
SCHEMBL28219396 0.82 KMT2A (0.62) KDM4EMRGPRX4MAPTCASP1TSHR

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-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 EP disclosed