SCHEMBL14909657

SCHEMBL14909657

CC(C)(C)N(C(=O)O)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2A6 P11509 2/20 0.38
ALOX15 P16050 1/20 0.37
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
P4HTM Q9NXG6 1/20 0.35
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL14910296 0.85 MAPK1 (0.40) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1025623 0.82 POLB (0.44) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14910069 0.78 MEN1 (0.43) HTTSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL16594120 0.77 KMT2A (0.42) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL14923605 0.75 PAX8 (0.47) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL837152 0.73 HTT (0.40) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4518431 0.73 POLB (0.34) HTTSMN1; SMN2RAB9ANPC1CYP11B2
SCHEMBL14911673 0.72 SMO (0.48) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL22554003 0.71 HTT (0.60) HTTSMN1; SMN2RAB9AMAPTCYP11B2
SCHEMBL30731061 0.71 HTT (0.60) HTTSMN1; SMN2RAB9AMAPTCYP11B2

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
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed