SCHEMBL9796608

SCHEMBL9796608

COc1cc(C(=O)CCl)c(N(C)C=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MITF O75030 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ ERN1 O75460 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31

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
SCHEMBL9796412 0.78 NPC1 (0.44) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9796430 0.76 HPGDS (0.42) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL9796460 0.76 GSK3B (0.35) ALDH1A1LMNAHTTSMN1; SMN2MITF
SCHEMBL8895170 0.75 MAPT (0.43) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9796449 0.74 RAB9A (0.46) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9796468 0.73 SMN1; SMN2 (0.40) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9722968 0.73 MEN1 (0.38) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9796262 0.72 HTT (0.51) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL9722918 0.72 HMGCR (0.36) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9722953 0.72 MEN1 (0.39) MAPTALDH1A1LMNASMN1; SMN2MEN1

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-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 — — US disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 — — WO disclosed
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