SCHEMBL4697734

SCHEMBL4697734

CC1=Nc2cccc(O)c2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 2/20 0.35
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADAMTS4 O75173 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL31461336 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL1049879 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL16696028 0.78 MEN1 (0.50) MEN1KMT2AATMTDP1CASP3
SCHEMBL5273065 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1LMNARECQL
SCHEMBL10031421 0.76 MEN1 (0.51) MEN1KMT2AGAAMAPTMCL1
SCHEMBL4349057 0.76 MEN1 (0.51) MEN1KMT2A
SCHEMBL27593573 0.74 KMT2A (0.46) MEN1KMT2AATMCA1CA2
Phosphoric Acid SCHEMBL29008757 0.74 MEN1 (0.46) MEN1KMT2AATMTDP1CASP3
SCHEMBL28179880 0.73 MEN1 (0.49) MEN1KMT2A
SCHEMBL17299122 0.73 MEN1 (0.45) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662566-A Heptamethine hydroxyindole cyanine dye, and synthesis method and application thereof 中国科学院宁波材料技术与工程研究所 2020-09-15 CN disclosed
EP-1981846-A2 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS Laboratoires Synth-Innove (FR) 2008-10-22 EP disclosed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
WO-2007017602-A2 MARQUEURS, LEUR PROCEDE DE FABRICATION ET LEURS APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2007-02-15 WO disclosed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed