SCHEMBL7544535

SCHEMBL7544535

N#CCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.33
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 1/20 0.31
KCNA3 P22001 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23532019 0.79 TP53 (0.39) MEN1MAPTKMT2AKCNN4KCNA3
SCHEMBL7538752 0.79 KCNN4 (0.36) MAPTKCNN4KCNA3CYP11B1CYP11B2
SCHEMBL5363164 0.79 TRPA1 (0.39) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL3152998 0.79 TSHR (0.39) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL27247249 0.78 MAPT (0.43) ATMMEN1MAPTKMT2AKCNN4
SCHEMBL7544520 0.76 TDP1 (0.42) MEN1KMT2AKCNN4KCNA3CYP11B1
SCHEMBL1195324 0.75 AKR1B1 (0.44) MAPTKDM4E
SCHEMBL13539077 0.75 KCNN4 (0.31) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL3152490 0.75 L3MBTL1 (0.32) KCNN4KCNA3CYP11B1CYP11B2TDP1
SCHEMBL10814483 0.75 IDO1 (0.44) KCNN4KCNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 US disclosed
EP-0667868-B1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed