SCHEMBL8550824

SCHEMBL8550824

C=Cc1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.63
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
DHODH Q02127 7/20 0.54
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
HPSE Q9Y251 1/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
NR4A2 P43354 1/20 0.46
CHEK2 O96017 1/20 0.45

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
SCHEMBL10609515 0.84 DHODH (0.52) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7943515 0.81 PARP1 (0.69) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7945641 0.80 MGAM (0.69) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL29790551 0.77 PARP1 (1.00) PARP1DHODHCHEK2
SCHEMBL28840590 0.77 PARP1 (1.00) PARP1DHODHCHEK2
SCHEMBL7941255 0.75 PKN1 (0.68) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL10268124 0.73 DHODH (0.61) PARP1DHODHGAACHEK2
SCHEMBL29953297 0.73 DHODH (0.56) PARP1ALDH1A1DHODHGAACHEK2
SCHEMBL1664216 0.73 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL14022277 0.72 PRMT5 (0.67) PARP1KDM4EALDH1A1HPGDKMT2A

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-5857886-A FORMING TRANSPARENT ELECTRODE, FORMING CARBON FILM, FORMING ORGANIC THIN FILM LAYER, FORMING ELECTRON INJECTION ELECTRODE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1999-01-12 US disclosed
US-5710484-A Organic thin film electroluminescent device having a carbon layer between the hole injection layer and the organic thin film layer MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1998-01-20 US disclosed