SCHEMBL9796166

SCHEMBL9796166

CNc1cc(Cl)ccc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ABL1 P00519 1/20 0.43
GRIK1 P39086 3/20 0.42
EPHX1 P07099 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
KCNMA1 Q12791 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1321725 0.85 KDM4E (0.63) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL9796443 0.85 ALDH1A1 (0.71) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3811074 0.83 KDM4E (0.54) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL7169725 0.83 KDM4E (0.74) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL5875315 0.81 ABL1 (0.62) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL1975830 0.81 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18534737 0.81 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL23486513 0.80 KDM4E (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL27731721 0.80 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3811178 0.80 ALDH1A1 (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045539-A 1H-indolo[3,2-c]quinoline-derivatives, compositions containing same, useful for treating pain, psychosis or convulsions HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-09-03 US disclosed
US-5006531-A 5,6-dihydro(1H-indolo(3,2-C)quinoline-6,4'-piperidines) and related compounds which are useful for treating pain, psychosis or convulsions HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-04-09 US disclosed
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0407898-A1 5,6-dihydro(1H-indolo(3,2-c)quinoline-6,4-piperidines)and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-16 EP disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 WO disclosed