SCHEMBL7320813

SCHEMBL7320813

CS(=O)(=O)O.N=C(N)c1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

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 14)

geneUniProtsupporting neighboursconfidence
▸ F2 known ✓ P00734 2/20 0.41
▸ PRSS1 P07477 9/20 0.53
▸ TMPRSS15 P98073 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ F10 P00742 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL7331217 0.93 PRSS1 (0.60) PRSS1TMPRSS15MAPTTP53HTT
SCHEMBL7329001 0.84 PRSS1 (0.59) PRSS1TMPRSS15MAPTHTTVCAM1
SCHEMBL10804963 0.81 MEN1 (0.48) MAPTHTTVCAM1MEN1KMT2A
SCHEMBL7328928 0.81 PRSS1 (0.55) PRSS1TMPRSS15MAPTVCAM1MEN1
SCHEMBL7329837 0.80 PRSS1 (0.63) PRSS1TMPRSS15MAPTHTTVCAM1
SCHEMBL7331050 0.78 PRSS1 (0.51) PRSS1TMPRSS15MAPTVCAM1MEN1
SCHEMBL7319750 0.78 PRSS1 (0.66) PRSS1TMPRSS15MAPTKMT2AALDH1A1
SCHEMBL7320820 0.76 PRSS1 (0.52) PRSS1TMPRSS15MAPTVCAM1ALDH1A1
SCHEMBL10940103 0.76 FTO (0.60) PRSS1MAPTMEN1KMT2AALDH1A1
SCHEMBL10801519 0.75 KMT2A (0.46) MAPTHTTVCAM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 — — US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 — — US disclosed
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