SCHEMBL8559970

SCHEMBL8559970

CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](CN1C(=O)c2ccc3c(c2C1=O)c1cc([N+](=O)[O-])ccc1n3C)C(N)CN

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
F2RL3 Q96RI0 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
F2R P25116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 1/20 0.35
TDP1 Q9NUW8 5/20 0.34
WEE1 P30291 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7971323 0.85 MAPT (0.39) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL8565381 0.85 MAPT (0.33) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8137121 0.80 MAPT (0.42) MAPTF2RL3MEN1KMT2ALMNA
SCHEMBL7988881 0.77 FTO (0.47) MAPTMEN1KMT2ACA12CA1
SCHEMBL8563721 0.74 CDK4 (0.38) MAPTMEN1KMT2AALDH1A1
SCHEMBL7985218 0.70 FTO (0.50) MAPTMEN1KMT2ACA12CA1
SCHEMBL8561924 0.69 KEAP1 (0.36) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8019238 0.69 HTT (0.34) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7982435 0.68 NTRK1 (0.39) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8030532 0.67 SIRT1 (0.43) MEN1KMT2ACA12CA1CA2

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-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed