SCHEMBL11530465

SCHEMBL11530465

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.38
CES1 P23141 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP19A1 P11511 1/20 0.36
PDE4B Q07343 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 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
SCHEMBL11534227 0.93 LMNA (0.47) ALDH1A1MAPTLMNAGAACES1
SCHEMBL11533723 0.92 SMN1; SMN2 (0.44) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL11531949 0.91 SMN1; SMN2 (0.43) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL11570831 0.90 CYP19A1 (0.42) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL11531901 0.88 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNAGAACES1
SCHEMBL11534023 0.88 CYP19A1 (0.46) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL11534440 0.88 LMNA (0.43) ALDH1A1MAPTLMNAGAACES1
SCHEMBL11533669 0.88 LMNA (0.43) ALDH1A1MAPTHPGDLMNAHSP90AA1
SCHEMBL11531685 0.86 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNAGAACES1
SCHEMBL11536254 0.86 MAPT (0.45) ALDH1A1MAPTLMNACES1KMT2A

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