SCHEMBL8750753

SCHEMBL8750753

N#CN=C(NCCc1ccccc1Cl)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
HIF1A Q16665 2/20 0.41
MAPK1 P28482 1/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8750824 0.84 HIF1A (0.40) P2RX7KMT2AHIF1AROCK2TAAR1
SCHEMBL9211745 0.83 KMT2A (0.51) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL5044056 0.83 HIF1A (0.39) P2RX7KMT2AHIF1AROCK2TAAR1
SCHEMBL5044053 0.83 HIF1A (0.39) P2RX7KMT2AHIF1AROCK2TAAR1
SCHEMBL8750839 0.83 P2RX7 (0.41) P2RX7KMT2ASMN1; SMN2MAPTHIF1A
SCHEMBL9214502 0.83 KMT2A (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9211754 0.82 MAPT (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8750762 0.82 HIF1A (0.46) P2RX7KMT2AHIF1AROCK2CNR1
SCHEMBL8750780 0.82 HIF1A (0.39) P2RX7KMT2AHIF1AROCK2TAAR1
SCHEMBL8750761 0.81 P2RX7 (0.43) P2RX7HIF1AROCK2TAAR1CNR1

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 11 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-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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