SCHEMBL8044098

SCHEMBL8044098

S=C1N=NC(c2sccc2Br)=N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
CASP3 P42574 1/20 0.33
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8048177 0.78 RAB9A (0.37) CASP3MAPTNPC1RAB9A
SCHEMBL8032801 0.78 CYP2A6 (0.42) MAPT
SCHEMBL770898 0.70 POLB (0.44) POLBCASP3MAPTRXFP1NPC1
SCHEMBL7818670 0.65 KDM4E (0.41) POLBCASP3MAPTNPC1RAB9A
SCHEMBL519565 0.63 MAPK1 (0.44) POLBCASP3MAPTRXFP1
SCHEMBL8043658 0.60
SCHEMBL2195598 0.60 POLB (0.38) POLBCASP3MAPTRXFP1NPC1
SCHEMBL16593598 0.60 POLB (0.38) POLBCASP3MAPTRXFP1NPC1
SCHEMBL7388070 0.60 PTGS2 (0.46) POLBCASP3MAPTRXFP1NPC1
SCHEMBL15424781 0.60 PDPK1 (0.47) POLBCASP3MAPTRXFP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed