SCHEMBL9209871

SCHEMBL9209871

COc1ccc(/N=C(\NC#N)c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
PKM P14618 3/20 0.48
ALPL P05186 1/20 0.46
HPGD P15428 2/20 0.46
CDK5 Q00535 2/20 0.46
PAX8 Q06710 2/20 0.46
CDK5R1 Q15078 2/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
HTR1A P08908 2/20 0.45
ADRA1A P35348 1/20 0.45
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HTT P42858 3/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9212813 1.00 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL9218386 0.85 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL9215332 0.85 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL9209875 0.75 RAB9A (0.63) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4855895 0.75 RAB9A (0.61) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4037230 0.70 KMT2A (0.72) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9216880 0.70 HTR1A (0.47) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9219153 0.70 HTR1A (0.47) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9217498 0.68 ABCC9 (0.51) ALDH1A1LMNAHTR1AADRA1A
SCHEMBL9217496 0.68 ABCC9 (0.51) ALDH1A1LMNAHTR1AADRA1A

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