SCHEMBL6559547

SCHEMBL6559547

Cc1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1CCCNC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
TTR P02766 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
ALB P02768 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD4 P21917 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
SCHEMBL6559436 0.94 MAPK1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6557418 0.81 HSD17B10 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6558343 0.79 NPC1 (0.41) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL6557414 0.77 MTNR1A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6558372 0.74 POLB (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6557056 0.69 ADH1B (0.37) MAPK1DRD4
SCHEMBL6559480 0.69 KCNN4 (0.34)
SCHEMBL5148585 0.68 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL6557067 0.67 P2RX3 (0.35) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6558942 0.66 KCNN4 (0.39) KMT2AALDH1A1HSD17B10MAPTLMNA

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
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed