SCHEMBL14586379

SCHEMBL14586379

O=C(O)/C=C/c1ccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 1.00
▸ KDM4E B2RXH2 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ HPGD P15428 4/20 0.64
▸ GLA P06280 3/20 0.64
▸ GAA P10253 3/20 0.64
▸ MEN1 O00255 3/20 0.62
▸ MAPK14 Q16539 3/20 0.59
▸ TGFBR1 P36897 2/20 0.59
▸ ALOX5 P09917 2/20 0.59
▸ MAPK13 O15264 2/20 0.59
▸ MAPK12 P53778 2/20 0.59
▸ MAPK11 Q15759 2/20 0.59
▸ MAPT P10636 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ CSNK1D P48730 1/20 0.51
▸ CSNK1E P49674 1/20 0.51

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
SCHEMBL29103864 0.86 KDM4E (0.83) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL8797319 0.84 PTPN1 (0.72) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL13679702 0.84 PTPN1 (0.72) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL2593317 0.82 KDM4E (0.91) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL12311111 0.82 KDM4E (0.75) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL28500397 0.81 KDM4E (0.74) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL14220430 0.80 KDM4E (0.72) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL28904610 0.80 MAPK13 (0.87) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL12561714 0.80 KDM4E (0.72) PTPN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL7996850 0.79 SELP (0.66) PTPN1KDM4EKMT2AALDH1A1HPGD

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
US-20070026398-A1 Protein tyrosine phosphatase-prl-1 a a marker and therapeutic target for pancreatic cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2007-02-01 — — US disclosed
US-20070026398-A1 Protein tyrosine phosphatase-prl-1 a a marker and therapeutic target for pancreatic cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2007-02-01 — — US disclosed
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