SCHEMBL11095698

SCHEMBL11095698

[NH]C(=O)Cc1nc(NC=O)cs1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.32
CDK5R1 Q15078 5/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27916221 0.85 GABRA5 (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL11188433 0.81 HSD17B10 (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL28226303 0.76 SLC6A3 (0.34) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL11143253 0.71 KMT2A (0.40) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL9203531 0.70 HSD17B10 (0.38) LMNAALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL27999303 0.68 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL11347159 0.67
SCHEMBL28177248 0.67 CA1 (0.34)
SCHEMBL8317393 0.67
SCHEMBL4967700 0.66

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-0109683-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 EP claimed