SCHEMBL9652197

SCHEMBL9652197

CC1Cc2ccccc2N1N.CS(=O)(=O)O

nearest known ligand 0.51

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
CHRM1 known ✓ P11229 1/20 0.43
NOTUM Q6P988 1/20 0.51
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 2/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
GAA P10253 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL13070447 0.88 NOTUM (0.53) NOTUMLMNASMN1; SMN2MAPTKMT2A
SCHEMBL3213122 0.88 NOTUM (0.53) NOTUMLMNASMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL31512213 0.86 NOTUM (0.51) NOTUMLMNASMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL9697361 0.86 NOTUM (0.51) NOTUMLMNASMN1; SMN2MAPTKMT2A
SCHEMBL2693467 0.75 LMNA (0.63) NOTUMLMNASMN1; SMN2MAPTTDP1
SCHEMBL30958761 0.73 LMNA (0.61) NOTUMLMNASMN1; SMN2MAPTTDP1
SCHEMBL9396982 0.70 GAA (0.50) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL21491851 0.70 CA1 (0.56) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL23084528 0.70 NOTUM (0.46) NOTUMLMNASMN1; SMN2MAPTKMT2A
SCHEMBL1865732 0.70 NOTUM (0.73) NOTUMLMNASMN1; SMN2PKMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5101040-A PROCESS FOR THE INDUSTRIAL PREPARATION OF 4-CHLORO-3-SULFAMOYL-N-(2,3-DIHYDRO-2-METHYL-1H-INDOL-1-YL)BENZAMIDE ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
US-4564677-A Preparation of N-amino compounds USV PHARMACEUTICAL CORP. (US) 1986-01-14 US disclosed