SCHEMBL8745318

SCHEMBL8745318

Nc1cc(N)c(N)cc1N.Nc1ccc(-c2ccc(N)c(N)c2)cc1N

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.93
KMT2A Q03164 5/20 0.93
MEN1 O00255 4/20 0.93
KCNH2 Q12809 2/20 0.58
PTK2 Q05397 1/20 0.53
CYP3A4 P08684 8/20 0.52
ALDH1A1 P00352 7/20 0.52
ALOX15 P16050 6/20 0.52
HSD17B10 Q99714 5/20 0.52
TSHR P16473 4/20 0.52
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
NR4A1 P22736 1/20 0.46
KDM4E B2RXH2 4/20 0.44

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
SCHEMBL29349835 0.97 TDP1 (1.00) TDP1KMT2AMEN1KCNH2PTK2
SCHEMBL23855 0.97 TDP1 (1.00) TDP1KMT2AMEN1KCNH2PTK2
Hydrogen Sulfide SCHEMBL7866760 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
SCHEMBL3497479 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Hydrochloric Acid SCHEMBL94882 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Water SCHEMBL10589317 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Hydrochloric Acid SCHEMBL874057 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Water SCHEMBL3137651 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Hydrochloric Acid SCHEMBL504482 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2
Methane SCHEMBL1599658 0.93 TDP1 (0.93) TDP1KMT2AMEN1KCNH2PTK2

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-2804889-B1 PROTON-CONDUCTING MEMBRANE, METHOD FOR THEIR PRODUCTION AND THEIR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2019-03-13 EP claimed
EP-0418889-B1 Polyamic acid having three-dimensional network molecular structure, polyimide obtained therefrom and process for the preparation thereof TOHO RAYON KK (JP) 1997-02-05 EP disclosed
US-5231162-A Polyamic acid having three-dimensional network molecular structure, polyimide obtained therefrom and process for the preparation thereof TOHO RAYON CO. LTD. (JP) 1993-07-27 US disclosed
EP-0418889-A2 Polyamic acid having three-dimensional network molecular structure, polyimide obtained therefrom and process for the preparation thereof Toho Rayon Co., Ltd. (JP) 1991-03-27 EP disclosed