SCHEMBL7084971

SCHEMBL7084971

Cc1cc(C)n2[c]c(-c3sccc3Br)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL7086925 0.65 ALDH1A1 (0.43) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL7086502 0.62 TP53 (0.40) MAPTPOLBNPC1RAB9ANPSR1
SCHEMBL770898 0.59 POLB (0.44) MAPTRXFP1POLBNPC1PKM
SCHEMBL16604858 0.58 KDM4E (0.55) MAPTPOLBNPC1RAB9ACASP3
SCHEMBL7388070 0.58 PTGS2 (0.46) MAPTRXFP1POLBNPC1PKM
SCHEMBL7921236 0.57 CYP2A6 (0.47) MAPTRXFP1POLBNPC1PKM
SCHEMBL16252211 0.57 POLB (0.45) MAPTRXFP1POLBNPC1PKM
SCHEMBL28002826 0.57 ALDH1A1 (0.42) MAPTRXFP1POLBNPC1RAB9A
SCHEMBL16604861 0.56 MAPT (0.51) MAPTRXFP1POLBNPC1PKM
SCHEMBL14833010 0.56 NPC1 (0.40) MAPTRXFP1POLBNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed