SCHEMBL8044346

SCHEMBL8044346

O=C(O)Cc1csc(Sc2nnn(Cc3ccccc3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1B1 P15121 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8044611 0.89 LMNA (0.39) LMNASMN1; SMN2RAB9AAKR1B1GAA
SCHEMBL8042878 0.84 HSD17B10 (0.42) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL8048752 0.84 HSD17B10 (0.42) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL8050333 0.81 GABRA5 (0.40) LMNASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL8032624 0.81 RAB9A (0.49) SMN1; SMN2RAB9ANPC1L3MBTL1KDM4E
SCHEMBL8044452 0.80 RAB9A (0.44) LMNASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL8045034 0.80 RAB9A (0.41) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL8033980 0.78 HSD17B10 (0.43) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL8032934 0.77 ALDH1A1 (0.50) LMNASMN1; SMN2RAB9AGAAKDM4E
SCHEMBL8044613 0.77 ALDH1A1 (0.38) LMNASMN1; SMN2GAAKDM4EALDH1A1

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