SCHEMBL10738968

SCHEMBL10738968

COc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)o1.CS(=O)(=O)O

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 known ✓ P00734 3/20 0.53
▸ CHRM1 known ✓ P11229 1/20 0.48
▸ DRD2 known ✓ P14416 1/20 0.48
▸ ADRA2B known ✓ P18089 1/20 0.48
▸ ADRA2C known ✓ P18825 1/20 0.48
▸ SLC6A4 known ✓ P31645 1/20 0.48
▸ ADRA1A known ✓ P35348 1/20 0.48
▸ DRD3 known ✓ P35462 1/20 0.48
▸ HTR3A known ✓ P46098 1/20 0.48
▸ SLC6A3 known ✓ Q01959 1/20 0.48
▸ GHSR known ✓ Q92847 1/20 0.48
▸ FTO Q9C0B1 1/20 0.59
▸ F12 P00748 11/20 0.53
▸ F10 P00742 3/20 0.53
▸ PLG P00747 2/20 0.53
▸ F11 P03951 1/20 0.53
▸ PRSS1 P07477 9/20 0.50
▸ C1R P00736 2/20 0.50
▸ KLK1 P06870 2/20 0.50
▸ KLKB1 P03952 1/20 0.50

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
SCHEMBL10745226 0.94 F12 (0.58) FTOF12F2F10PLG
SCHEMBL10855686 0.81 PRSS1 (0.56) FTOF12PRSS1TMPRSS15
SCHEMBL10922456 0.80 FTO (0.74) FTOF12F2F10PLG
SCHEMBL7345696 0.80 FTO (0.70) FTOF12F2F10PLG
SCHEMBL10738973 0.80 PLAU (0.42) FTOF12F2F10PLG
SCHEMBL7276273 0.78 PRSS1 (0.54) FTOPRSS1TMPRSS15
SCHEMBL7340875 0.78 FTO (0.74) FTOF12F2F10PLG
SCHEMBL10738669 0.78 PRSS1 (0.52) FTOF2F10PLGPRSS1
SCHEMBL10938172 0.77 FTO (0.66) FTOF12F2F10PLG
SCHEMBL7279367 0.77 PRSS1 (0.55) FTOPRSS1TMPRSS15

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-4634783-A ENZYME INHIBITORS, ANTICOMPLEMENT AGENT TORII & CO. LTD. (JP) 1987-01-06 — — US disclosed
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