SCHEMBL14307551

SCHEMBL14307551

Brc1c(Cn2nnc3ccccc32)ccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ KCNMA1 Q12791 1/20 0.54
▸ BRD4 O60885 1/20 0.53
▸ SLC9A1 P19634 4/20 0.52
▸ GRM2 Q14416 2/20 0.51
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTK2 Q05397 5/20 0.45
▸ ATM Q13315 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL8045378 0.83 KMT2A (0.70) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL9302790 0.82 HPGD (1.00) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL21490289 0.72 SLC9A1 (0.75) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL30368818 0.71 GAA (0.66) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL9305191 0.71 GAA (0.66) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL3552907 0.70 KCNMA1 (0.67) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL9303187 0.70 KCNMA1 (0.67) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL2734889 0.69 GRM2 (1.00) ALDH1A1KCNMA1SLC9A1GRM2MAPT
SCHEMBL3259919 0.68 SLC9A1 (0.66) HPGDTSHRKCNMA1SLC9A1GRM2
SCHEMBL31234269 0.68 SLC9A1 (0.70) HPGDTSHRKCNMA1SLC9A1GRM2

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
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 — — WO disclosed
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