SCHEMBL344095

SCHEMBL344095

[NH]c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GLA P06280 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
WDR5 P61964 1/20 0.50
METAP2 P50579 2/20 0.49
METAP1 P53582 1/20 0.49
LDHA P00338 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CDC25B P30305 1/20 0.47
USP2 O75604 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL23911689 0.81 KDM4E (0.64) HSD17B10ALDH1A1HPGDKDM4EGLA
Naphthalene SCHEMBL1831655 0.80 WDR5 (0.66) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL1661024 0.79 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29593799 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL33850 0.78 WDR5 (0.68) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29376732 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29376013 0.78 WDR5 (0.68) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL4268 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL1809752 0.78 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
Benzene SCHEMBL27549874 0.78 WDR5 (0.68) HSD17B10ALDH1A1HPGDKDM4EGLA

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-2420538-B1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY NIPPON KAYAKU KK (JP) 2015-04-22 EP disclosed
US-8535432-B2 Porphyrazine coloring matter, ink composition containing the same and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-09-17 US disclosed
EP-2420538-A1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2012-02-22 EP disclosed
US-20120013678-A1 Porphyrazine Coloring Matter, Ink Composition Containing The Same And Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed