SCHEMBL9209875

SCHEMBL9209875

COc1ccc(NC(=NC#N)c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
PKM P14618 4/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 7/20 0.50
KMT2A Q03164 4/20 0.50
MITF O75030 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 3/20 0.47
ALPL P05186 1/20 0.47
HPGD P15428 2/20 0.47
CDK5 Q00535 2/20 0.47
PAX8 Q06710 2/20 0.47
CDK5R1 Q15078 2/20 0.47
GRM4 Q14833 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL9215336 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL3092361 0.77 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL4855888 0.76 RAB9A (0.71) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL9212813 0.75 MAPT (0.48) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL9209871 0.75 MAPT (0.48) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL7970282 0.74 KDM4E (0.43) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL7970278 0.74 KDM4E (0.43) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL14257478 0.71 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4037228 0.71 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL11227305 0.71 CRHBP (0.51) RAB9ANPC1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed