SCHEMBL9775968

SCHEMBL9775968

CC(=O)Oc1ccc(Cl)c(N)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX12 P18054 1/20 0.46
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
CFD P00746 2/20 0.40
NR3C1 P04150 1/20 0.38
TNFSF11 O14788 1/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL8860109 0.82 KDM4E (0.50) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL31612516 0.82 KDM4E (0.50) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL27898498 0.81 NR3C1 (0.49) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL27656174 0.79 MAPK1 (0.47) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL27966057 0.79 KDM4E (0.42) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL31571874 0.78 ACHE (0.41) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL11249678 0.75 KDM4E (0.48) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL11449450 0.75 KDM4E (0.44) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL6137016 0.75 TSHR (0.53) KDM4ETDP1CYP3A4ALOX12TSHR
SCHEMBL11057310 0.74 KDM4E (0.46) KDM4ETDP1CYP3A4ALOX12TSHR

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
JP-3246216-A None JP disclosed
JP-H03246216-A 2,4-DICHLORO-3-AMINOPHENOL-O-ACYLATED MATERIAL OR SALT THEREOF AND KERATIN FIBER DYEING AGENT COMPOSITION CONTAINING SAME MATERIAL OR SALT THEREOF KAO CORP 1991-11-01 JP disclosed