SCHEMBL8044846

SCHEMBL8044846

CCCCn1nnc(Sc2ncc(C(=O)O)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP7 Q93009 1/20 0.33

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
SCHEMBL8049983 0.93 RXRA (0.39) RAB9AKMT2AALDH1A1MAPTF2
SCHEMBL8045389 0.88 RXRA (0.40) RAB9AALDH1A1SMN1; SMN2NPC1RXRA
SCHEMBL8046142 0.83 RXRA (0.38) KMT2AMEN1RXRARXRBRXRG
SCHEMBL8043417 0.82 HDAC6 (0.36) RAB9ASMN1; SMN2NPC1RXRARXRB
SCHEMBL8043447 0.81 RXRA (0.43) ALDH1A1RXRARXRBRXRGHCAR2
SCHEMBL8046313 0.81 ALDH1A1 (0.35) RAB9AKMT2AALDH1A1MAPTF2
SCHEMBL8044527 0.79 RAB9A (0.35) RAB9AKMT2AALDH1A1MAPTF2
SCHEMBL8033057 0.79 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2NPC1RXRA
SCHEMBL8041832 0.78 RAB9A (0.53) RAB9AKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8032365 0.78 MAPK8 (0.49) RAB9AKMT2AALDH1A1MAPTF2

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