SCHEMBL8050800

SCHEMBL8050800

CN(C)CCCn1c(Sc2nc(-c3ccccc3)cs2)nnc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
HTR2A P28223 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8033660 0.92 MAPT (0.44) HTR1AHTR7HTR2ASMN1; SMN2RAB9A
SCHEMBL8034019 0.87 HPGD (0.36) HTR1AHTR7HTR2ASMN1; SMN2RAB9A
SCHEMBL8048230 0.87 KDM4E (0.43) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL8043767 0.86 KDM4E (0.49) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL8041907 0.84 RAB9A (0.47) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL8050920 0.83 RAB9A (0.39) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL8043400 0.82 ALDH1A1 (0.53) HTR1AHTR7HTR2ASMN1; SMN2RAB9A
SCHEMBL8048106 0.82 KDM4E (0.56) SMN1; SMN2RAB9ANPC1TSHRLMNA
SCHEMBL8048032 0.82 RECQL (0.41) SMN1; SMN2RAB9ANPC1TSHRKDM4E
SCHEMBL8044774 0.81 KDM4E (0.43) HTR7SMN1; SMN2RAB9ANPC1TSHR

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