SCHEMBL28022089

SCHEMBL28022089

N=C(N)c1cnccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 3/20 0.42
SIRT3 Q9NTG7 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4C Q9H3R0 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM6B O15054 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
SARM1 Q6SZW1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL7263236 0.82 KDM4C (0.48) NAPRTTDP1SIRT3KDM4EMAPT
SCHEMBL11290152 0.76 TDP1 (0.49) NAPRTTDP1SIRT3KDM4EMAPT
SCHEMBL28021639 0.75 KDM4C (0.58) NAPRTTDP1SIRT3KDM4EMAPT
SCHEMBL27598452 0.75 BCAT2 (0.54) TDP1KDM4EMAPTCYP1A2F7
SCHEMBL3326582 0.75 AOC1 (0.57) NAPRTTDP1KDM4EMAPTCYP1A2
SCHEMBL11459066 0.72 NAPRT (0.47) NAPRTTDP1KDM4EMAPTCYP1A2
SCHEMBL8746918 0.72 NAPRT (0.47) NAPRTTDP1SIRT3KDM4EMAPT
SCHEMBL3443861 0.72 NAPRT (0.47) NAPRTKDM4EMAPTCYP1A2KDM4C
SCHEMBL29091757 0.72 LOXL2 (0.55) NAPRTTDP1KDM4EMAPTCYP1A2
SCHEMBL27904192 0.72 NAPRT (0.47) NAPRTTDP1KDM4EMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947292-B nitrogen-containing heteroaryl compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-08-19 CN disclosed