SCHEMBL11284366

SCHEMBL11284366

CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=O)OCC(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.57

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 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL11272830 0.95 KMT2A (0.58) KMT2AMEN1POLBATMTDP1
SCHEMBL11278725 0.95 KMT2A (0.58) KMT2AMEN1POLBATMTDP1
SCHEMBL11270445 0.95 KMT2A (0.58) KMT2AMEN1POLBATMTDP1
SCHEMBL11282367 0.94 KMT2A (0.59) KMT2AMEN1POLBATMTDP1
SCHEMBL11282296 0.92 KMT2A (0.56) KMT2AMEN1POLBATMTDP1
SCHEMBL11285504 0.90 KMT2A (0.52) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11285568 0.86 KMT2A (0.54) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11277590 0.86 KMT2A (0.54) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11272631 0.86 SMN1; SMN2 (0.56) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11281075 0.86 SMN1; SMN2 (0.56) KMT2AMEN1POLBATMALDH1A1

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed