SCHEMBL8322269

SCHEMBL8322269

CN(C)c1ccc([S+](c2ccc(OC3CCCO3)cc2)c2ccc(N(C)C)cc2)cc1.CS(=O)(=O)[O-]

nearest known ligand 0.39

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 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CXCR4 P61073 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8322119 0.97 DDB1 (0.34) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL8325663 0.92 GAA (0.38) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL6140612 0.90 HPGD (0.37) GAAHPGDSMN1; SMN2KMT2ANPC1
SCHEMBL8321358 0.89 GAA (0.35) GAAHPGDSMN1; SMN2KMT2ANPC1
SCHEMBL8649996 0.88 GAA (0.35) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL8327555 0.88 DDB1 (0.36) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL8663699 0.87 ALDH1A1 (0.34) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL6140565 0.87 ALDH1A1 (0.34) GAADDB1CRBNHPGDSMN1; SMN2
SCHEMBL8323056 0.87 LMNA (0.38) GAAHPGDSMN1; SMN2KMT2ANPC1
SCHEMBL8322230 0.86 DHFR (0.36) GAAALDH1A1

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed