SCHEMBL9127013

SCHEMBL9127013

O=C(Nc1ccccc1Cl)Oc1ccc(Sc2ccc(OC(=O)Nc3ccccc3Cl)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ ACHE P22303 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESRRG P62508 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL9127274 0.83 KMT2A (0.51) KMT2AMEN1KDM4EACHEALDH1A1
SCHEMBL9128446 0.80 SMN1; SMN2 (0.44) KMT2AMEN1ACHEALDH1A1HTT
SCHEMBL9125516 0.79 MAPT (0.41) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9126334 0.77 KDM4E (0.45) KMT2AMEN1KDM4EESR1TRPV1
SCHEMBL9127384 0.77 MAPT (0.48) KMT2AMEN1KDM4EESR1ESRRG
SCHEMBL9128109 0.77 PORCN (0.52) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9122885 0.76 ALDH1A1 (0.52) KMT2AMEN1KDM4ETRPV1ALDH1A1
SCHEMBL9124425 0.76 GAA (0.50) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9129066 0.75 KMT2A (0.46) KMT2AACHE
SCHEMBL9125537 0.73 DRD4 (0.45) NPC1RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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