SCHEMBL3711552

SCHEMBL3711552

COC(=O)c1cc(NC(=O)c2cccnc2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
CSF1R P07333 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3712176 0.92 GRM5 (0.42) ALDH1A1CSF1RCYP19A1CYP11B1CYP11B2
SCHEMBL3712830 0.92 DEGS1 (0.44) ALDH1A1LMNASMN1; SMN2CSF1RCYP19A1
SCHEMBL3711372 0.91 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTCSF1R
SCHEMBL3713260 0.91 CYP11B1 (0.48) LMNASMN1; SMN2CSF1RCYP19A1CYP11B1
SCHEMBL3712399 0.90 GRM5 (0.46) ALDH1A1CYP19A1CYP11B1CYP11B2GRM5
SCHEMBL3711302 0.89 RAB9A (0.49) LMNASMN1; SMN2MAPTCSF1RHPGD
SCHEMBL3716726 0.88 CSF1R (0.41) ALDH1A1LMNASMN1; SMN2CSF1RCYP19A1
SCHEMBL3714333 0.88 HDAC1 (0.49) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL3713498 0.88 CYP19A1 (0.39) ALDH1A1LMNASMN1; SMN2CSF1RCYP19A1
SCHEMBL3710087 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2MAPT

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed