SCHEMBL8102243

SCHEMBL8102243

CC(=O)c1cc(Br)cc2sc(NC(=O)c3ccc(CP(=O)(O)O)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DUSP3 P51452 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 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
SCHEMBL8095688 0.88 HDAC1 (0.41) LMNALRRK2NPC1RAB9ADUSP3
SCHEMBL8087171 0.76 DUSP3 (0.58) LMNANPC1RAB9ADUSP3KMT2A
SCHEMBL8087450 0.73 MAPK1 (0.59) LMNANPC1RAB9ADUSP3ALDH1A1
SCHEMBL8096406 0.73 DUSP3 (0.72) LMNANPC1RAB9ADYRK1ADUSP3
SCHEMBL8094946 0.65 DUSP3 (0.55) LMNANPC1RAB9ADUSP3ALDH1A1
SCHEMBL14807437 0.64 MAP3K5 (0.68) LRRK2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8095230 0.64 DUSP3 (0.67) LMNANPC1RAB9ADYRK1ADUSP3
SCHEMBL21091465 0.64 DYRK1A (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL23657486 0.63 ALDH1A1 (0.69) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL6057617 0.63 LCK (0.50) NPC1RAB9AALDH1A1KDM4EMAPT

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
EP-0604657-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-12 — — EP claimed
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