SCHEMBL8042990

SCHEMBL8042990

CCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
SREBF2 Q12772 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.40
ATM Q13315 1/20 0.39
ABL1 P00519 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
SCHEMBL8032967 0.90 RAB9A (0.48) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8048236 0.89 MAPT (0.44) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8032807 0.87 MEN1 (0.45) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8033209 0.86 HTR1A (0.49) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8048093 0.86 RAB9A (0.43) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8048496 0.85 MEN1 (0.43) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8047850 0.83 MEN1 (0.44) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8041816 0.82 RAB9A (0.47) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8045211 0.82 KMT2A (0.48) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL8042084 0.82 ALDH1A1 (0.49) RAB9AMAPTNPC1LMNAALDH1A1

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