SCHEMBL8044982

SCHEMBL8044982

CCCn1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX12 P18054 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
SREBF2 Q12772 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8044338 0.93 POLB (0.44) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8048046 0.91 MAPT (0.47) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8034092 0.88 HTR1A (0.49) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8033890 0.85 RAB9A (0.46) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8046628 0.84 AR (0.40) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8051792 0.82 AR (0.43) MAPTRAB9ALMNANPC1KMT2A
SCHEMBL8049804 0.81 KMT2A (0.43) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8043683 0.81 HTR1A (0.47) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8033941 0.79 SMN1; SMN2 (0.36) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL8042670 0.79 RAB9A (0.43) MAPTRAB9ALMNANPC1ALDH1A1

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