SCHEMBL8043207

SCHEMBL8043207

CCn1nnnc1Sc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8044646 0.91 ALDH1A1 (0.52) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8046481 0.89 ALDH1A1 (0.44) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8043688 0.88 HTR1A (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8046147 0.85 ALDH1A1 (0.42) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8044036 0.84 KMT2A (0.44) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8050040 0.84 HTT (0.51) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8032462 0.83 CYP2C19 (0.39) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8042704 0.83 DCUN1D1 (0.44) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8045832 0.82 LMNA (0.42) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8042146 0.82 KDM4E (0.42) MAPTLMNARAB9ANPC1MEN1

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