SCHEMBL8095688

SCHEMBL8095688

CCOP(=O)(Cc1ccc(C(=O)Nc2nc3c(C(C)=O)cc(Br)cc3s2)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ DUSP3 P51452 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SCD O00767 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8102243 0.88 LMNA (0.39) HDAC1DUSP3LMNASMN1; SMN2MAPT
SCHEMBL8094946 0.79 DUSP3 (0.55) DUSP3LMNATP53MEN1KMT2A
SCHEMBL8095923 0.77 NPSR1 (0.53) HDAC1DUSP3LMNASMN1; SMN2TP53
SCHEMBL8101770 0.76 NPC1 (0.61) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL8093460 0.76 DUSP3 (0.67) DUSP3LMNASMN1; SMN2TP53MAPT
SCHEMBL9502356 0.73 MAPT (0.55) HDAC1LMNASMN1; SMN2TP53MAPT
SCHEMBL10388492 0.71 HDAC1 (0.51) HDAC1LMNASMN1; SMN2TP53MAPT
SCHEMBL9771249 0.69 HDAC1 (0.47) HDAC1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL6657301 0.69 ALDH1A1 (0.51) HDAC1LMNAMEN1KMT2AKDM4E
SCHEMBL8095230 0.69 DUSP3 (0.67) DUSP3LMNASMN1; SMN2TP53MAPT

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-0604657-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-12 — — EP claimed
EP-0604657-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-07-06 — — EP claimed
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