SCHEMBL8044338

SCHEMBL8044338

CCCCn1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
MAPT P10636 7/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL8044982 0.93 MAPT (0.44) POLBMAPTRAB9ANPC1LMNA
SCHEMBL8048046 0.89 MAPT (0.47) POLBMAPTRAB9ANPC1LMNA
SCHEMBL8043683 0.88 HTR1A (0.47) ATP4AATP4BMAPTRAB9ANPC1
SCHEMBL8033890 0.83 RAB9A (0.46) POLBMAPTRAB9ANPC1LMNA
SCHEMBL8046628 0.82 AR (0.40) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL8034092 0.81 HTR1A (0.49) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL8042296 0.80 RAB9A (0.39) POLBMAPTRAB9ANPC1KMT2A
SCHEMBL8051792 0.80 AR (0.43) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL8050186 0.80 ATP4A (0.35) ATP4AATP4BMAPTRAB9AKMT2A
SCHEMBL8046481 0.80 ALDH1A1 (0.44) POLBATP4AATP4BMAPTRAB9A

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