SCHEMBL7845201

SCHEMBL7845201

O=C(Nc1ccccc1)c1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAOB P27338 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPK14 Q16539 3/20 0.46
PTPN1 P18031 2/20 0.46
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
PLAU P00749 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
BACE1 P56817 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOA P21397 2/20 0.44

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
SCHEMBL7846213 0.76 MAPK14 (0.65) NPC1RAB9APKMSMN1; SMN2MAPK14
SCHEMBL10908381 0.76 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL27491379 0.73 MAOA (0.54) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL10908115 0.73 BAZ2B (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAOA
Hydrochloric Acid SCHEMBL6645920 0.72 MAOA (0.52) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL3366233 0.71 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1315526 0.70 PTPN1 (0.87) NPC1RAB9APTPN1HDAC2HDAC8
SCHEMBL7915249 0.70 CASP3 (0.63) NPC1RAB9APKMSMN1; SMN2BACE1
SCHEMBL296403 0.69 ACHE (0.59) SMN1; SMN2KMT2AMAOA
SCHEMBL8374911 0.69 HDAC1 (0.85) NPC1RAB9APKMSMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed