SCHEMBL9125372

SCHEMBL9125372

Cc1cc(-c2c(NC(=O)Oc3ccccc3)cccc2Sc2cccc(NC(=O)Oc3ccccc3)c2-c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PORCN Q9H237 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ MAOB P27338 1/20 0.38

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
SCHEMBL9126189 0.86 TRPV1 (0.43) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9125156 0.85 KMT2A (0.48) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9123553 0.83 TRPV1 (0.54) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9125379 0.79 ALDH1A1 (0.42) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9128334 0.78 KMT2A (0.48) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9124009 0.77 KMT2A (0.42) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9127326 0.76 TRPV1 (0.47) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9125161 0.76 KMT2A (0.44) KMT2ATRPV1MEN1ALDH1A1KDM4E
SCHEMBL9125366 0.76 PORCN (0.39) KMT2AALDH1A1KDM4EMAPTNPC1
SCHEMBL9125474 0.72 TRPV1 (0.53) KMT2ATRPV1MEN1ALDH1A1KDM4E

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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