SCHEMBL7853172

SCHEMBL7853172

CCCCc1nc2nc(C)c(Br)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 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
SCHEMBL9704690 0.82 PI4KA (0.43) ALDH1A1MAPTKMT2ANOS3NOS1
SCHEMBL8131528 0.81 GPR84 (0.38) ALDH1A1NOS3NOS1NOS2PI4KA
SCHEMBL7850823 0.81 NOS3 (0.38) HPGDALDH1A1NOS3NOS1NOS2
SCHEMBL7852527 0.79 KMT2A (0.40) KMT2ANOS3NOS1NOS2PI4KA
SCHEMBL8123692 0.78 NOS3 (0.39) HPGDALDH1A1NOS3NOS1NOS2
SCHEMBL7850327 0.76 PSMB5 (0.51) POLBNOS3NOS1NOS2
SCHEMBL3336190 0.76 PARP1 (0.41) HPGDALDH1A1LMNAAPOBEC3GKMT2A
SCHEMBL9703975 0.75 PARP1 (0.40) ALDH1A1POLBKMT2ANOS3NOS1
SCHEMBL7840711 0.74 PARP1 (0.41) MAPTNOS3NOS1NOS2
SCHEMBL9851464 0.74 NOS3 (0.49) ALDH1A1POLBKMT2ANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743943-B1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-10-31 EP disclosed
EP-0765328-B1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2000-08-30 EP disclosed
US-5849753-A Pyridyl imidazole derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-12-15 US disclosed
US-5691348-A INHIBITORS OF ANGIOTENSIN II AS HYPOTENSIVE AGENTS FORMED IN MULTISTAGE PROCESS BY CONDENSATION WITH A CARBOXYLIC ACID, REACTION IN PRESENCE OF BASE, REACTION IN THE PRESENCE OF TETRAKIS/TRIPHENYLPHOSPHINE/PALLADIUM AND OXIDATION DAEWOO ELECTRONICS CO., LTD. (KR) 1997-11-25 US disclosed
EP-0743943-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-11-27 EP disclosed
WO-1995021838-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-08-17 WO disclosed
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed