SCHEMBL19417245

SCHEMBL19417245

Nc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.83
▸ KMT2A Q03164 6/20 0.83
▸ ADORA2A P29274 2/20 0.62
▸ ADORA1 P30542 2/20 0.62
▸ ASIC3 Q9UHC3 2/20 0.55
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ XDH P47989 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.48

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
SCHEMBL19417164 1.00 MEN1 (0.83) MEN1KMT2AADORA2AADORA1ASIC3
SCHEMBL4257749 0.98 MEN1 (0.79) MEN1KMT2AADORA2AADORA1ASIC3
SCHEMBL3185376 0.91 MEN1 (1.00) MEN1KMT2AADORA2AADORA1ASIC3
SCHEMBL19054765 0.89 KMT2A (0.68) MEN1KMT2AADORA2AADORA1ASIC3
SCHEMBL901375 0.84 MEN1 (0.60) MEN1KMT2AADORA2AADORA1ASIC3
SCHEMBL4404689 0.84 CYP19A1 (0.63) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL10051450 0.84 CYP19A1 (0.63) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL10051447 0.84 CYP19A1 (0.63) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL12258341 0.84 CYP19A1 (0.63) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL19860206 0.84 CYP19A1 (0.63) MEN1KMT2AADORA2AADORA1MAPT

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-2821459-B1 COMPOSITION AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL IND INC (KR) 2017-10-04 — — EP disclosed
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