SCHEMBL9211146

SCHEMBL9211146

CC(/N=C(\NC#N)c1ccccn1)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
SLC2A1 P11166 1/20 0.39
HTR1A P08908 2/20 0.38
ADRA1A P35348 1/20 0.38
NPY5R Q15761 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9217900 1.00 P2RX7 (0.43) P2RX7LMNASMN1; SMN2MITFSLC2A1
SCHEMBL9217496 0.78 ABCC9 (0.51) P2RX7LMNAHTR1AADRA1A
SCHEMBL9217498 0.78 ABCC9 (0.51) P2RX7LMNAHTR1AADRA1A
SCHEMBL9211155 0.75 SLC2A1 (0.42) LMNASMN1; SMN2MITFSLC2A1ADRA1A
SCHEMBL9218386 0.73 ALDH1A1 (0.56) LMNASMN1; SMN2HTR1AADRA1AKDM4E
SCHEMBL9215332 0.73 ALDH1A1 (0.56) LMNASMN1; SMN2HTR1AADRA1AKDM4E
SCHEMBL9219153 0.69 HTR1A (0.47) SMN1; SMN2HTR1AADRA1AKDM4ENPC1
SCHEMBL9216880 0.69 HTR1A (0.47) SMN1; SMN2HTR1AADRA1AKDM4ENPC1
SCHEMBL9209304 0.66 HTR1A (0.45) P2RX7HTR1AADRA1ANPC1RAB9A
SCHEMBL9209299 0.66 HTR1A (0.45) P2RX7HTR1AADRA1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP 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