SCHEMBL31518344

SCHEMBL31518344

CS(=O)(=O)O.c1ccc2c(c1)CNC2

nearest known ligand 0.64

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
▸ MAOB known ✓ P27338 2/20 0.46
▸ PNMT P11086 2/20 0.46
▸ CD44 P16070 1/20 0.46
▸ MAOA P21397 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL27793892 1.00 MAOB (0.46) MAOBPNMTCD44MAOAOXTR
Sulfuric Acid SCHEMBL31518346 0.91 PNMT (0.50) MAOBPNMTCD44MAOAOXTR
SCHEMBL29351494 0.80 — —
SCHEMBL13590042 0.80 PNMT (0.65) MAOBPNMTCD44OXTR
SCHEMBL10612 0.80 — —
SCHEMBL11365140 0.78 CES1 (0.48) MAOBMAOAKEAP1NPC1
SCHEMBL620774 0.78 IKBKB (0.44) CD44
Hydrochloric Acid SCHEMBL4702076 0.77 PNMT (0.62) MAOBPNMTCD44OXTR
Ammonia Solution, Strong SCHEMBL16296133 0.77 PNMT (0.62) MAOBPNMTCD44OXTR
Methane SCHEMBL11147358 0.77 PNMT (0.62) MAOBPNMTCD44OXTR

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
CN-119959406-A Method for detecting cis-all-hydrogen isoindole and trans-isomer in salt thereof 北京四环科宝制药股份有限公司 2025-05-09 — — CN disclosed
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