SCHEMBL31197064

SCHEMBL31197064

CSCC[C@H](NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ MARS1 P56192 4/20 0.57
▸ CARM1 Q86X55 3/20 0.53
▸ NSD2 O96028 2/20 0.53
▸ SETD7 Q8WTS6 2/20 0.53
▸ PRMT1 Q99873 2/20 0.53
▸ SETD2 Q9BYW2 1/20 0.53
▸ DOT1L Q8TEK3 3/20 0.52
▸ EHMT2 Q96KQ7 2/20 0.52
▸ FASN P49327 2/20 0.52
▸ TRDMT1 O14717 1/20 0.52
▸ PRMT5 O14744 1/20 0.52
▸ SUV39H1 O43463 1/20 0.52
▸ PRMT3 O60678 1/20 0.52
▸ INMT O95050 1/20 0.52
▸ PNMT P11086 1/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ NNMT P40261 1/20 0.52
▸ HNMT P50135 1/20 0.52
▸ WDR5 P61964 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL635050 1.00 MARS1 (0.57) MARS1CARM1NSD2SETD7PRMT1
SCHEMBL23042225 1.00 MARS1 (0.57) MARS1CARM1NSD2SETD7PRMT1
SCHEMBL29260986 1.00 MARS1 (0.57) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL8733715 0.99 MARS1 (0.56) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL28166953 0.99 MARS1 (0.56) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL527855 0.99 MARS1 (0.56) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL31277062 0.99 MARS1 (0.56) MARS1CARM1NSD2SETD7PRMT1
SCHEMBL19554471 0.97 MARS1 (0.56) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL5613159 0.92 MARS1 (0.64) MARS1CARM1NSD2SETD7PRMT1
Sulfuric Acid SCHEMBL636869 0.92 MARS1 (0.64) MARS1CARM1NSD2SETD7PRMT1

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
CN-118845947-B Preparation process of dendrobium candidum composite particles for clearing liver and improving eyesight 江西省中医药研究院 2025-05-13 — — CN disclosed
CN-118845947-A Preparation process of dendrobium candidum composite particles for clearing liver and improving eyesight 江西省中医药研究院 2024-10-29 — — CN disclosed
Send feedback