SCHEMBL7333700

SCHEMBL7333700

CC(=O)Oc1ccc(C(=Cc2ccccc2)C(=O)Oc2ccc(C(=N)N)cc2C(=O)c2ccccc2)cc1.CS(=O)(=O)O

nearest known ligand 0.41

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 13)

geneUniProtsupporting neighboursconfidence
▸ F2 known ✓ P00734 2/20 0.39
▸ ELANE P08246 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KLK1 P06870 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ AKR1C3 P42330 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ F10 P00742 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL7333102 0.83 MAPT (0.48) ELANEMAPTMAPK1FTOPTGS2
SCHEMBL7322271 0.83 KMT2A (0.47) ELANEMAPTMAPK1KLK1FTO
SCHEMBL10851091 0.80 FTO (0.52) MAPTF2KLK1PRSS1FTO
SCHEMBL7329818 0.79 KMT2A (0.46) ELANEMAPTMAPK1F2PRSS1
SCHEMBL7324828 0.78 FTO (0.47) MAPTF2KLK1PRSS1FTO
SCHEMBL7320565 0.78 MAPT (0.54) ELANEMAPTMAPK1F2PRSS1
SCHEMBL7325116 0.77 KMT2A (0.51) ELANEMAPTMAPK1KLK1KDM4E
SCHEMBL7325111 0.77 KMT2A (0.51) ELANEMAPTMAPK1KLK1KDM4E
SCHEMBL7323125 0.75 ALDH1A1 (0.48) MAPTF2KLK1PRSS1FTO
SCHEMBL7332959 0.74 RAB9A (0.45) MAPTF2KLK1PRSS1FTO

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-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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