SCHEMBL14910355

SCHEMBL14910355

O=C(O)n1ccc2c(Br)cc(-n3cncn3)nc21

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
PIM1 P11309 1/20 0.32
GRK6 P43250 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MAPT P10636 2/20 0.31
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14911154 0.83 GPR119 (0.38) KDM4EPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14910298 0.79 SLC22A12 (0.35)
SCHEMBL14909599 0.79 KDM6B (0.35)
SCHEMBL25364149 0.73 APOBEC3A (0.36) KDM4EGLAALDH1A1MEN1KMT2A
SCHEMBL14908674 0.69 L3MBTL1 (0.40) KDM4EPOLBHTTALDH1A1CYP1A2
SCHEMBL14909295 0.67 PRKCI (0.38) KDM4EPIM1ALDH1A1SMN1; SMN2
SCHEMBL157061 0.65 ENPP1 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14911173 0.63 PIK3CA (0.36)
SCHEMBL28810673 0.61 SLC22A12 (0.34) KDM4EHTT
SCHEMBL18168008 0.60 KDM4E (0.50) STING1KDM4EPOLBGLAHTT

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