SCHEMBL9211155

SCHEMBL9211155

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
SLC6A4 P31645 1/20 0.41
PKM P14618 2/20 0.41
GLA P06280 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
GNAI1 P63096 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9217500 0.78 KDM4E (0.37) SLC2A1PKMKMT2APOLBRAB9A
SCHEMBL9211146 0.75 P2RX7 (0.43) SLC2A1PKMADRA1ALMNASMN1; SMN2
SCHEMBL9217900 0.75 P2RX7 (0.43) SLC2A1PKMADRA1ALMNASMN1; SMN2
SCHEMBL9215336 0.73 NPC1 (0.53) PKMADRA2CHSD17B10LMNASMN1; SMN2
SCHEMBL9216882 0.69 RAB9A (0.39) PKMGLALMNASMN1; SMN2KMT2A
SCHEMBL9209875 0.67 RAB9A (0.63) PKMLMNASMN1; SMN2MITFKMT2A
SCHEMBL7970282 0.66 KDM4E (0.43) PKMGLANFKB1LMNASMN1; SMN2
SCHEMBL7970278 0.66 KDM4E (0.43) PKMGLANFKB1LMNASMN1; SMN2
SCHEMBL7969153 0.66 KDM4E (0.40) PKMGLALMNASMN1; SMN2MITF
SCHEMBL7969155 0.66 KDM4E (0.40) PKMGLALMNASMN1; SMN2MITF

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