SCHEMBL7307769

SCHEMBL7307769

CNC(=O)COC(=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O

nearest known ligand 0.45

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 2/20 0.41
ACR P10323 2/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 4/20 0.44
PRSS1 P07477 4/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 3/20 0.43
KLK1 P06870 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TMPRSS15 P98073 1/20 0.42
FTO Q9C0B1 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 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
SCHEMBL1648216 0.95 KMT2A (0.47) ACRMAPTKMT2APRSS1MEN1
SCHEMBL9231748 0.89 ACR (0.40) ACRMAPTKMT2APRSS1CA12
SCHEMBL9235998 0.89 ACR (0.40) ACRMAPTKMT2APRSS1CA12
SCHEMBL11305070 0.87 PRSS1 (0.53) ACRMAPTKMT2APRSS1CA12
SCHEMBL7306887 0.86 PRSS1 (0.56) ACRMAPTKMT2APRSS1CA12
SCHEMBL11284366 0.84 KMT2A (0.53) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL11277772 0.83 MEN1 (0.55) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11277245 0.82 MGLL (0.48) ACRMAPTKMT2APRSS1MEN1
SCHEMBL11308016 0.81 KMT2A (0.47) ACRMAPTKMT2APRSS1CA12
SCHEMBL11432494 0.81 KMT2A (0.50) ACRMAPTKMT2APRSS1CA12

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-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US disclosed