SCHEMBL8043572

SCHEMBL8043572

Cc1nc(Sc2ncc(Cl)s2)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLP1R P43220 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8033779 0.77 EGLN1 (0.49) EGLN1RAB9APOLBHPGDMEN1
SCHEMBL8047141 0.77 EGLN1 (0.38) EGLN1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL8042483 0.73 KDM4E (0.49) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8032372 0.72
SCHEMBL8043836 0.70 ICAM1 (0.40) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL8048057 0.70 RAB9A (0.39) EGLN1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL8042567 0.69 RAB9A (0.46) EGLN1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL8048521 0.68 POLB (0.36) EGLN1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL8045613 0.67 RAB9A (0.44) RAB9ASMN1; SMN2POLBHPGDMEN1
SCHEMBL8033105 0.64 POLB (0.33) EGLN1RAB9ASMN1; SMN2POLBALDH1A1

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