SCHEMBL8042828

SCHEMBL8042828

O=C(Nc1cnc(Sc2nnc(Cc3c[nH]c4ccccc34)n2-c2ccccc2)s1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SRC P12931 1/20 0.42
BACE1 P56817 1/20 0.41
GHSR Q92847 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR84 Q9NQS5 6/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MET P08581 2/20 0.39
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL8043560 0.85 BACE1 (0.45) BACE1GHSRALDH1A1CYP1A2CYP2D6
SCHEMBL8050059 0.82 GPR84 (0.43) MEN1KMT2AMAPTBACE1GHSR
SCHEMBL8045236 0.80 SSTR4 (0.41) BACE1GHSRALDH1A1CYP1A2CYP2D6
SCHEMBL8042613 0.80 GPR84 (0.40) MEN1KMT2AMAPTBACE1ALDH1A1
SCHEMBL8046975 0.76 GPR84 (0.43) MEN1KMT2AMAPTBACE1GHSR
SCHEMBL8043584 0.75 GPR84 (0.44) LMNABACE1ALDH1A1CYP1A2CYP2D6
SCHEMBL8033920 0.75 HTT (0.49) LMNAMEN1KMT2AMAPTBACE1
SCHEMBL8051882 0.75 BACE1 (0.44) BACE1GHSRALDH1A1CYP1A2CYP2D6
SCHEMBL8034186 0.75 MET (0.41) MEN1KMT2AMAPTBACE1ALDH1A1
SCHEMBL8050394 0.74 ALDH1A1 (0.41) LMNAMEN1KMT2AMAPTALDH1A1

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