SCHEMBL11050644

SCHEMBL11050644

O=C(O)C1CSC(c2ccccc2O)=N1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.74
GPR35 Q9HC97 1/20 0.46
HTR1D P28221 1/20 0.45
HTR7 P34969 1/20 0.45
HTR3A P46098 1/20 0.45
HTR2C P28335 2/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1534272 0.98 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL30608416 0.98 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL1686982 0.98 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL26117247 0.98 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL15602812 0.87 HTR2B (0.59) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL15602915 0.87 HTR2B (0.59) HTR2BGPR35HTR1DHTR7HTR3A
Pulicatins G SCHEMBL12469063 0.85 HTR2B (1.00) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL3993320 0.85 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL11925403 0.85 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL3993242 0.85 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A

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-4457936-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed