SCHEMBL7092527

SCHEMBL7092527

Nc1c[c]cc(C(=O)NCc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
CA2 P00918 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK14 Q16539 1/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 4/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HIF1A Q16665 1/20 0.51
ADORA2A P29274 3/20 0.50

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
SCHEMBL31396771 0.83 CYP1A2 (0.65) POLBNPC1RAB9ALMNACA2
SCHEMBL11625676 0.81 LMNA (0.74) POLBNPC1RAB9ALMNACA2
SCHEMBL7953774 0.80 POLB (0.60) POLBNPC1RAB9ALMNACA2
SCHEMBL5847828 0.80 HDAC6 (0.53) RAB9ALMNACA2SMN1; SMN2ALDH1A1
SCHEMBL166484 0.77 LMNA (0.82) POLBNPC1RAB9ALMNACA2
SCHEMBL3366646 0.77 KMT2A (0.67) POLBNPC1RAB9ALMNACA2
SCHEMBL5846767 0.76 HDAC6 (0.47) NPC1RAB9ALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27843329 0.76 LMNA (0.80) POLBNPC1RAB9ALMNACA2
SCHEMBL7094154 0.76 CA2 (0.56) NPC1LMNACA2ALDH1A1L3MBTL1
SCHEMBL5846817 0.75 SMN1; SMN2 (0.56) POLBNPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed