SCHEMBL8183229

SCHEMBL8183229

COc1ccc(CNc2nc(C3CCC(C(=O)O)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
PDE5A O76074 6/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
KCNH2 Q12809 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40

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
SCHEMBL8171487 0.93 MAPT (0.46) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
Bicarbonate SCHEMBL7018838 0.92 MAPT (0.44) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL5250586 0.91 PTPN12 (0.44) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL8179134 0.90 PTPN12 (0.47) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL7661812 0.89 PTPN12 (0.44) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL6711626 0.89 MAPT (0.42) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL6708311 0.87 MAPT (0.42) PTPN12PTPN22PDE5AMAPTSMN1; SMN2
SCHEMBL8179501 0.86 ALDH1A1 (0.46) PDE5AMAPTLMNAPDE11A
SCHEMBL8184358 0.86 PDE5A (0.45) PDE5APDE11A
SCHEMBL8177973 0.86 PDE5A (0.51) PDE5A

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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed