SCHEMBL30467765

SCHEMBL30467765

OCC(F)(F)c1ccc(Br)cc1Cl.[BH4-].[Na+]

nearest known ligand 0.35

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 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.33
NOTUM Q6P988 1/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL30452017 0.96 NT5E (0.37) NT5EHSD11B1ALDH1A1RECQLNOTUM
SCHEMBL24252824 0.96 NT5E (0.37) NT5EHSD11B1ALDH1A1RECQLNOTUM
SCHEMBL16760268 0.79 NT5E (0.37) NT5EHSD11B1TSHR
SCHEMBL30161845 0.79 NT5E (0.37) NT5EHSD11B1TSHR
Hydrochloric Acid SCHEMBL30161934 0.77 NT5E (0.36) NT5EHSD11B1TSHR
Hydrochloric Acid SCHEMBL21995396 0.77 NT5E (0.36) NT5EHSD11B1TSHR
SCHEMBL17713108 0.77 DGAT1 (0.39) ALDH1A1CASP1LMNA
SCHEMBL31466467 0.77 DGAT1 (0.39) ALDH1A1CASP1LMNA
SCHEMBL17713136 0.77 KDM1A (0.41) NOTUMCASP1
SCHEMBL29589267 0.75 NT5E (0.46) NT5EHSD11B1NOTUMTSHR

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
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed