SCHEMBL8033941

SCHEMBL8033941

CCCn1nnc(Sc2nc(C)cs2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8042296 0.92 RAB9A (0.39) SMN1; SMN2MAPTPKMCYP1A2CYP3A4
SCHEMBL8043900 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTRAB9ANPC1POLB
SCHEMBL8042050 0.82 LMNA (0.42) SMN1; SMN2MAPTPKMRAB9ANPC1
SCHEMBL8034092 0.81 HTR1A (0.49) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL8050096 0.80 RAB9A (0.37) SMN1; SMN2MAPTRAB9ANPC1POLB
SCHEMBL8042402 0.80 ALDH1A1 (0.40) SMN1; SMN2MAPTRAB9ANPC1POLB
SCHEMBL8044982 0.79 MAPT (0.44) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8044452 0.79 RAB9A (0.44) SMN1; SMN2MAPTPKMRAB9ANPC1
SCHEMBL8050333 0.78 GABRA5 (0.40) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8050993 0.77 CTSS (0.36) MAPT

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