SCHEMBL8032709

SCHEMBL8032709

Cn1nnnc1Sc1ncc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 16/20 0.41
PIP4K2C Q8TBX8 14/20 0.41
ADRB2 P07550 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PAX8 Q06710 5/20 0.39
LMNA P02545 3/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MITF O75030 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8044080 0.81 ALDH1A1 (0.40) HTTALDH1A1LMNAMEN1TP53
SCHEMBL8051237 0.81 SMN1; SMN2 (0.30) TSHRSMN1; SMN2
SCHEMBL8042151 0.81 CYP1A2 (0.37) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8046035 0.79 HTT (0.41) HTTALDH1A1LMNAMEN1TP53
SCHEMBL8046664 0.77 CA12 (0.42) HTTPIP4K2CALDH1A1PAX8LMNA
SCHEMBL8033751 0.77 RXRA (0.43) HTTPIP4K2CALDH1A1LMNACA12
SCHEMBL8042307 0.76 MAPK8 (0.52) HTTPIP4K2CALDH1A1PAX8LMNA
SCHEMBL8043646 0.76 ALDH1A1 (0.54) HTTALDH1A1LMNAMEN1TP53
SCHEMBL8047637 0.75 LMNA (0.39) HTTPIP4K2CALDH1A1LMNATP53
SCHEMBL8043814 0.75 NPC1 (0.38) LMNAMEN1TP53KMT2ATSHR

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