SCHEMBL365441

SCHEMBL365441

CCS(=O)(=O)NC(=O)c1c2ccccc2n2cc(C(C)=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 3/20 0.38
RORC P51449 7/20 0.36
NR4A2 P43354 1/20 0.34
CREBBP Q92793 1/20 0.34
BCL2 P10415 1/20 0.34
BAK1 Q16611 1/20 0.34
LMNA P02545 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL366253 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDRORCLMNA
SCHEMBL364816 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRORC
SCHEMBL366210 0.89 HPGD (0.47) ALDH1A1KDM4EHPGDLMNAEGFR
SCHEMBL366978 0.88 SCN9A (0.45) ALDH1A1KDM4EHPGDSCN2BSCN1A
SCHEMBL366383 0.86 HPGD (0.40) KDM4EHPGDLMNASMN1; SMN2HDAC6
SCHEMBL366060 0.83 LMNA (0.42) ALDH1A1KDM4EHPGDLMNA
SCHEMBL365520 0.82 POLB (0.46) ALDH1A1KDM4EHPGDLMNAEGFR
SCHEMBL365440 0.81 MAPT (0.41) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL367569 0.80 SRC (0.46) ALDH1A1KDM4EHPGDRORCNR4A2
SCHEMBL366442 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNR4A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed