SCHEMBL20683228

SCHEMBL20683228

O=[N+]([O-])c1cncc(Br)c1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.48
ALDH1A1 P00352 9/20 0.47
MAPT P10636 8/20 0.46
POLB P06746 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15769992 0.85 MAPT (0.51) MAPK1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL28030231 0.81 MAPT (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18430160 0.79 HPGD (0.48) MAPK1ALDH1A1MAPTPOLBCYP1A2
SCHEMBL29229284 0.77 CHRNB2 (0.39) MAPK1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL17965887 0.76 POLB (0.38) MAPK1ALDH1A1MAPTPOLBCYP2C9
SCHEMBL15873376 0.76 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL15873377 0.76 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL25342057 0.74 MAPT (0.54) ALDH1A1MAPTPOLBCYP1A2CYP2C9
SCHEMBL31256553 0.74 MAPT (0.54) ALDH1A1MAPTPOLBCYP1A2CYP2C9
SCHEMBL11515831 0.73 ALDH1A1 (0.64) MAPK1ALDH1A1MAPTPOLBCYP1A2

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
EP-3053916-B1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2019-01-30 EP disclosed