SCHEMBL11533669

SCHEMBL11533669

CC(=O)C(c1ccccc1)(c1ccc(-c2ccccc2)cc1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP19A1 P11511 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11532706 0.93 LMNA (0.49) LMNAMAPTALDH1A1HSP90AA1MEN1
SCHEMBL11533163 0.92 TSHR (0.42) LMNAMAPTALDH1A1HPGDHSP90AA1
SCHEMBL11533025 0.88 CYP19A1 (0.46) LMNAMAPTHSP90AA1KMT2ACYP19A1
SCHEMBL11536312 0.88 TSHR (0.44) LMNAMAPTALDH1A1HSP90AA1MEN1
SCHEMBL11530465 0.88 ALDH1A1 (0.42) LMNAMAPTALDH1A1HPGDHSP90AA1
SCHEMBL11535387 0.86 LMNA (0.44) LMNAMAPTALDH1A1HPGDHSP90AA1
SCHEMBL11533863 0.85 LMNA (0.40) LMNAMAPTALDH1A1HSP90AA1MEN1
SCHEMBL11533530 0.85 MAPT (0.46) LMNAMAPTALDH1A1HSP90AA1MEN1
SCHEMBL11538658 0.85 CYP19A1 (0.45) LMNAMAPTALDH1A1HPGDHSP90AA1
SCHEMBL11531949 0.82 SMN1; SMN2 (0.43) LMNAMAPTALDH1A1HPGDMEN1

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed