SCHEMBL7837249

SCHEMBL7837249

CCc1ccc2cc(CN)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL12824284 0.87 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9697024 0.82 CYSLTR1 (0.42) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL14045940 0.82 TERT (0.38) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL18949111 0.79 ADORA2A (0.36) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL24060260 0.78 PDE10A (0.51) NPC1RAB9ALMNACYP1A2KDM4E
SCHEMBL25728354 0.78 HRH3 (0.43) TERT
SCHEMBL15287165 0.78 KDM4E (0.58) NPC1RAB9ALMNACYP1A2NCK1
SCHEMBL7454652 0.78 KDM4E (0.58) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A
SCHEMBL6230105 0.76 CYP1A2 (0.59) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7813726 0.75 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US claimed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP claimed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN claimed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP claimed
EP-0470795-B2 Process for the manufacture of nitriles AVECIA LTD (GB) 2001-02-21 EP disclosed
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0470795-B1 Process for the manufacture of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0470794-B1 Process for the preparation of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
EP-0495948-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1992-07-29 EP disclosed
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN disclosed
CN-1058965-A The method for preparing new quinoline ICI PLC (GB) 1992-02-26 CN disclosed
WO-1992002508-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-20 WO disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0470794-A1 Process for the preparation of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed