SCHEMBL7341758

SCHEMBL7341758

CS(=O)(=O)O.N=C(N)c1ccc2cc(OC(=O)C=Cc3ccccc3)ccc2c1

nearest known ligand 0.56

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 0.48
▸ MAOB known ✓ P27338 1/20 0.46
▸ CHRM1 known ✓ P11229 1/20 0.46
▸ DRD2 known ✓ P14416 1/20 0.46
▸ ADRA2B known ✓ P18089 1/20 0.46
▸ ADRA2C known ✓ P18825 1/20 0.46
▸ SLC6A4 known ✓ P31645 1/20 0.46
▸ ADRA1A known ✓ P35348 1/20 0.46
▸ DRD3 known ✓ P35462 1/20 0.46
▸ HTR3A known ✓ P46098 1/20 0.46
▸ SLC6A3 known ✓ Q01959 1/20 0.46
▸ GHSR known ✓ Q92847 1/20 0.46
▸ PDGFRB known ✓ P09619 1/20 0.45
▸ FTO Q9C0B1 1/20 0.56
▸ PLAU P00749 7/20 0.55
▸ KLK1 P06870 6/20 0.55
▸ PLG P00747 5/20 0.55
▸ PLAT P00750 3/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ CA2 P00918 1/20 0.49

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
SCHEMBL7338981 0.93 PLAU (0.63) PLAUKLK1PLGPLATKMT2A
SCHEMBL7338984 0.93 PLAU (0.63) PLAUKLK1PLGPLATKMT2A
SCHEMBL7338147 0.90 FTO (0.55) FTOPLAUKLK1PLGPLAT
SCHEMBL7342372 0.87 FTO (0.53) FTOPLAUKLK1PLGPLAT
SCHEMBL7330202 0.83 TNFRSF1A (0.58) KMT2AALDH1A1MAPTKDM4ETDP1
SCHEMBL10922456 0.83 FTO (0.74) FTOPLAUKLK1PLGPLAT
SCHEMBL10938260 0.82 FTO (0.57) FTOPLAUKLK1PLGPLAT
SCHEMBL3362022 0.82 KMT2A (0.68) PLAUKLK1PLGPLATKMT2A
SCHEMBL3362024 0.82 KMT2A (0.68) PLAUKLK1PLGPLATKMT2A
SCHEMBL7347800 0.82 PLAU (0.51) FTOPLAUKLK1PLGPLAT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 — — EP disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 — — US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 — — US disclosed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 — — EP disclosed
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