SCHEMBL28617151

SCHEMBL28617151

Nc1cccc(-c2nccc(C(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MAP4K4 O95819 3/20 0.41
ATAD2 Q6PL18 1/20 0.41
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SYK P43405 1/20 0.39
MAOA P21397 1/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 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
SCHEMBL2885661 0.78 MEN1 (0.51) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL2627252 0.75 MAP4K4 (0.60) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL11780809 0.72 MEN1 (0.56) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL14320513 0.72 CLK4 (0.46) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL22655931 0.72 PPM1B (0.43) MEN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL12171957 0.71 MEN1 (0.64) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL27775532 0.71 KDM4E (0.47) MEN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL20745651 0.70 SMN1; SMN2 (0.49) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL25458430 0.69 SMN1; SMN2 (0.40) MEN1KDM4EMAPTKMT2AMAP4K4
SCHEMBL22347249 0.69 MECP2 (0.49) MEN1ALDH1A1KDM4ELMNAMAPT

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
CN-113195475-A Inhibitors of human immunodeficiency virus replication VIIV保健英国第五有限公司 2021-07-30 CN disclosed