SCHEMBL9210922

SCHEMBL9210922

N#CN=C(NCCc1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL9214502 0.80 KMT2A (0.61) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9214530 0.79 RAB9A (0.54) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7703395 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9210616 0.78 ABCB1 (0.50) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL8837343 0.77 L3MBTL1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL9211754 0.74 MAPT (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8750761 0.74 P2RX7 (0.43) HIF1AHDAC2HDAC6
SCHEMBL9214049 0.74 MEN1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9212059 0.73 GPR52 (0.42) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL18633356 0.73 MEN1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1

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