SCHEMBL8043400

SCHEMBL8043400

CN(C)CCCn1c(Sc2nc3ccccc3s2)nnc1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
USP2 O75604 3/20 0.53
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 7/20 0.48
GFER P55789 1/20 0.48
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 5/20 0.42
TSHR P16473 4/20 0.42
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL8047245 0.86 KDM4E (0.54) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8050831 0.85 HSP90AA1 (0.46) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8034281 0.85 KMT2A (0.40) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8044738 0.85 CSNK1D (0.39) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8043389 0.84 PDK1 (0.44) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8044904 0.83 TSHR (0.41) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8041811 0.83 ALDH1A1 (0.50) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8043994 0.83 ALDH1A1 (0.53) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8048230 0.83 KDM4E (0.43) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8050800 0.82 HTR1A (0.49) ALDH1A1USP2HSD17B10SMN1; SMN2RAB9A

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