SCHEMBL7845652

SCHEMBL7845652

O=C(NCc1ccccc1)c1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 2/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
PPARG P37231 2/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 1/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 3/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL7845201 0.82 NPC1 (0.47) ALDH1A1KMT2ARAB9AHDAC2HDAC8
SCHEMBL7844926 0.77 ALDH1A1 (0.57) ALDH1A1MEN1GAATSHRKMT2A
SCHEMBL6841880 0.74 ALDH1A1 (0.68) ALDH1A1MEN1GAATSHRKMT2A
SCHEMBL7843220 0.74 CHRNB2 (0.53) ALDH1A1MEN1GAAKMT2AHPGD
Hydrochloric Acid SCHEMBL6647929 0.73 KDM1A (0.55) ALDH1A1HPGDRAB9AHSD17B10HDAC2
SCHEMBL11900090 0.72 HDAC6 (0.85) TSHRHPGDROCK2ROCK1RAB9A
SCHEMBL11902028 0.71 NR1H4 (0.79) ALDH1A1HPGDRAB9AHSD17B10HDAC2
SCHEMBL11900328 0.70 HDAC6 (0.87) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL29370025 0.70 ALDH1A1 (0.78) ALDH1A1MEN1GAATSHRKMT2A
SCHEMBL2915318 0.70 HDAC6 (0.74) ALDH1A1KMT2AHPGDROCK2ROCK1

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