SCHEMBL9213657

SCHEMBL9213657

N#CN=C(NCCSc1ccccc1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
ALDH1A1 P00352 5/20 0.48
RECQL P46063 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL9213651 0.75 HRH4 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9213646 0.75 HRH4 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8915041 0.73 HRH4 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1RECQL
SCHEMBL9218686 0.73 HTT (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9211859 0.73 KMT2A (0.49) NPC1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL9209405 0.71 CYP2C9 (0.42) NPC1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8613499 0.71 RAB9A (0.79) RAB9ANPC1SMN1; SMN2ALDH1A1RECQL
SCHEMBL9219735 0.70 MTNR1A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL9214854 0.69 KDM4E (0.48) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8918941 0.69 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1RECQL

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