SCHEMBL10793604

SCHEMBL10793604

O=C(O)c1ccc(Nc2ccc(Nc3ccc(C(=O)O)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 1/20 0.62
▸ KMT2A Q03164 8/20 0.61
▸ MAPT P10636 7/20 0.61
▸ MEN1 O00255 7/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ HKDC1 Q2TB90 2/20 0.61
▸ HK1 P19367 1/20 0.61
▸ CDC25A P30304 1/20 0.61
▸ CDC25B P30305 1/20 0.61
▸ CDC25C P30307 1/20 0.61
▸ CYP1A2 P05177 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ LMNA P02545 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.50

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
SCHEMBL10789018 0.98 P2RY4 (0.60) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL10790230 0.93 KMT2A (0.58) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL10791991 0.93 MAPT (0.64) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL29352991 0.92 KMT2A (0.61) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL10790208 0.92 KMT2A (0.61) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL10789007 0.89 MAPT (0.57) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL11605556 0.88 MAPK13 (0.62) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL11605977 0.84 P2RY12 (0.57) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL595104 0.84 P2RY12 (0.56) P2RY4KMT2AMAPTMEN1MAPK1
SCHEMBL11604737 0.84 CYP1A2 (0.53) P2RY4KMT2AMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140620-B1 SILANE ANTHRAQUINONE DYES, COMPOSITE PIGMENTS OBTAINABLE THEREFROM, AND PROCESSES FOR PREPARING THE SAME Montedison S.p.A. (IT) 1987-08-12 — — EP disclosed
EP-0140620-A1 Silane anthraquinone dyes, composite pigments obtainable therefrom, and processes for preparing the same Montedison S.p.A. (IT) 1985-05-08 — — EP disclosed
Send feedback