SCHEMBL8019238

SCHEMBL8019238

CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](CN1C(=O)c2ccc3c(c2C1=O)c1ccccc1n3C)NCCN[C@H](C)CN1C(=O)c2ccc3c(c2C1=O)c1ccccc1n3C

nearest known ligand 0.34

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
HTT P42858 4/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
MAP3K5 Q99683 3/20 0.34
USP2 O75604 3/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 3/20 0.34
CASP1 P29466 2/20 0.34
BRCA1 P38398 2/20 0.34
CASP7 P55210 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
PER2 O15055 3/20 0.34
CRY1 Q16526 3/20 0.34
CRY2 Q49AN0 3/20 0.34

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
SCHEMBL7985195 0.85 CDK4 (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL7971323 0.84 MAPT (0.39) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL8565381 0.83 MAPT (0.33) HTTMAPTKMT2AMEN1MAP3K5
SCHEMBL7988885 0.81 SIRT1 (0.44) HTTMAPT
SCHEMBL8156893 0.79 KDM4E (0.41) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL8137121 0.78 MAPT (0.42) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL8561924 0.78 KEAP1 (0.36) HTTMAPTKMT2AMEN1MAP3K5
SCHEMBL7982435 0.75 NTRK1 (0.39) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL8131634 0.75 SIRT1 (0.49) HTTMAPTKMT2AMEN1USP2
SCHEMBL7988881 0.73 FTO (0.47) HTTMAPTKMT2AMEN1RECQL

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-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed