SCHEMBL14723655

SCHEMBL14723655

c1ccc(C(c2ccc[nH]2)c2cccc3cccnc23)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TP53 P04637 3/20 0.38
ALOX15 P16050 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
PPP1CA P62136 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38

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
SCHEMBL10000101 0.85 PSMD14 (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3017476 0.83 ADRA2A (0.47) MAPTMEN1KMT2ATP53SLC6A2
SCHEMBL13247044 0.80 MAPT (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL13247043 0.79 CFTR (0.43) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9864313 0.77 PSMD14 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL16060314 0.75 SLC6A3 (0.65) MAPTMEN1KMT2ALMNATDP1
SCHEMBL13247008 0.71 ADRA2A (0.49) MAPTLMNASMN1; SMN2TDP1TP53
SCHEMBL13247003 0.71 ADRA2A (0.43) MAPTLMNASMN1; SMN2TDP1TP53
SCHEMBL701285 0.69 ADRA2A (0.47) TP53PSMD14COPS5SLC6A2SLC6A4
SCHEMBL13247020 0.69 CYP1A2 (0.40) MAPTLMNASMN1; SMN2TDP1TP53

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
US-8383646-B2 Therapeutic ((bicylicheteroaryl)imidazolyl) methylheteroaryl compounds ALLERGAN, INC. (US) 2013-02-26 US disclosed