SCHEMBL9013225

SCHEMBL9013225

Cc1cc(C)c(C(=O)Oc2nc(Cl)nc(OCC3CO3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
VDR P11473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM5 P41594 4/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL9013436 0.81 KMT2A (0.50) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL259402 0.79 HSP90AA1 (0.39) KMT2AMAPTALDH1A1GLASMN1; SMN2
SCHEMBL48796 0.76 TDP1 (0.41) KMT2ALMNAMAPTALDH1A1GLA
SCHEMBL9064088 0.74 ALDH1A1 (0.40) KMT2ALMNAMAPTVDRALDH1A1
SCHEMBL4308247 0.73 TDP1 (0.41) KMT2ALMNAMAPTALDH1A1GLA
SCHEMBL9174762 0.72 ALDH1A1 (0.40) KMT2ALMNAMAPTALDH1A1GLA
SCHEMBL31398434 0.72 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL49542 0.71 SMN1; SMN2 (0.47) KMT2ALMNAMAPTALDH1A1GLA
SCHEMBL5608545 0.70 KMT2A (0.34) KMT2A
SCHEMBL9073833 0.69 HSP90AA1 (0.55) KMT2ALMNAMAPTALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563266-A Method of use of disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1996-10-08 US disclosed
US-5563266-A Method of use of disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1996-10-08 US disclosed
US-5446155-A Reacting monoorganoxy dichloro-triazine with monohydroxy aliphatic compound in non-polar solvent and aqueous alkali metal hydroxide solution with the presence of phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1995-08-29 US disclosed
US-5446155-A Reacting monoorganoxy dichloro-triazine with monohydroxy aliphatic compound in non-polar solvent and aqueous alkali metal hydroxide solution with the presence of phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1995-08-29 US disclosed
US-5312918-A Method for preparing substituted nitrogen-heterocyclic compounds GENERAL ELECTRIC COMPANY (US) 1994-05-17 US disclosed
EP-0592143-A1 Method for preparing disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1994-04-13 EP disclosed
EP-0592143-A1 Method for preparing disubstituted monochlorotriazines GENERAL ELECTRIC COMPANY (US) 1994-04-13 EP disclosed
EP-0588524-A1 Method for preparing substituted dichlorotriazines GENERAL ELECTRIC COMPANY (US) 1994-03-23 EP disclosed
US-5229513-A Cyanuric chloride and phenolic compound GENERAL ELECTRIC COMPANY (US) 1993-07-20 US disclosed
EP-0513327-A1 METHOD FOR PREPARING SUBSTITUTED NITROGEN-HETEROCYCLIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1992-11-19 EP disclosed
WO-1992009601-A1 METHOD FOR PREPARING SUBSTITUTED NITROGEN-HETEROCYCLIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1992-06-11 WO disclosed