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SCHEMBL20240509

SCHEMBL20240509

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nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ KDM1A O60341 4/20 0.69
▸ RCOR1 Q9UKL0 3/20 0.68
▸ LDHB P07195 4/20 0.36
▸ KEAP1 Q14145 4/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ F11 P03951 2/20 0.34
▸ TERF2IP Q9NYB0 2/20 0.33
▸ TERF2 Q15554 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32

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
SCHEMBL15873843 0.95 KDM1A (0.77) KDM1ARCOR1LDHBKEAP1HDAC3
SCHEMBL2476060 0.95 KDM1A (0.77) KDM1ARCOR1LDHBKEAP1HDAC3
SCHEMBL135811 0.95 KDM1A (0.77) KDM1ARCOR1LDHBKEAP1HDAC3
Sulfuric Acid SCHEMBL28198732 0.94 KDM1A (0.76) KDM1ARCOR1LDHBKEAP1HDAC3
SCHEMBL28868015 0.92 KDM1A (0.83) KDM1ARCOR1LDHBKEAP1F11
SCHEMBL119883 0.89 KDM1A (0.79) KDM1ARCOR1LDHBKEAP1HDAC3
Colistin B SCHEMBL15873840 0.87 KDM1A (0.85) KDM1ARCOR1LDHBKEAP1HDAC3
SCHEMBL31087460 0.87 KDM1A (0.84) KDM1ARCOR1LDHBKEAP1HDAC3
Colistin B SCHEMBL1860364 0.87 KDM1A (0.90) KDM1ARCOR1LDHBKEAP1HDAC3
SCHEMBL21474126 0.86 KDM1A (0.89) KDM1ARCOR1LDHBKEAP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195444-A1 POLYMER-COATED NANOPARTICLES AND PREPARATION METHOD THEREFOR SCINDY PHARMACEUTICAL (SUZHOU) CO., LTD (CN) 2025-06-19 — — US disclosed
EP-4491178-A1 POLYMER-COATED NANOPARTICLES AND PREPARATION METHOD THEREFOR Scindy Pharmaceutical (Suzhou) Co., Ltd (CN) 2025-01-15 — — EP disclosed
WO-2018103758-A1 HIGH-TITER POLYMYXIN E2 SODIUM METHANESULFONATE 上海医药工业研究院 2018-06-14 — — WO disclosed