SCHEMBL14908674

SCHEMBL14908674

COc1cc(Br)c2ccn(C(=O)O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14911208 0.83 PIK3CA (0.38) L3MBTL1ALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL25364149 0.81 APOBEC3A (0.36) ALDH1A1KDM4ELMNAGAANPSR1
SCHEMBL22759055 0.76 NOTUM (0.33) ALDH1A1KDM4EMTNR1AMTNR1BHPGD
SCHEMBL14910298 0.73 SLC22A12 (0.35)
SCHEMBL21361794 0.72 GSK3B (0.33) L3MBTL1ALDH1A1LMNANPC1GAA
SCHEMBL14911209 0.71 ALDH1A1 (0.36) L3MBTL1ALDH1A1KDM4ELMNATDP1
SCHEMBL14909599 0.70 KDM6B (0.35)
SCHEMBL14910355 0.69 STING1 (0.32) ALDH1A1KDM4ECYP1A2MAPTHTT
SCHEMBL157061 0.69 ENPP1 (0.40) L3MBTL1ALDH1A1KDM4EGAARAB9A
SCHEMBL21354079 0.69 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed