SCHEMBL4737759

SCHEMBL4737759

CCOC(=O)[C@H](Cc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1)NC1=CC(=O)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ALDH3A1 P30838 2/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4732361 0.87 KCNQ2 (0.39) ITGB1ITGA4
SCHEMBL4736256 0.86 ITGB1 (0.44) KMT2AMAPTLMNAHTTSMN1; SMN2
SCHEMBL4736967 0.83 TDP1 (0.44) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6532346 0.82 ITGB1 (0.41) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4733784 0.81 MAPT (0.52) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4735983 0.76 ITGA4 (0.47) ITGB1ITGA4
SCHEMBL4750220 0.76 ITGB1 (0.44) LMNAITGB1ITGA4
SCHEMBL4750224 0.76 ITGB1 (0.44) LMNAITGB1ITGA4
SCHEMBL4736687 0.76 MAPT (0.48) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4737637 0.75 ITGB1 (0.42) ALDH1A1ITGB1ITGA4

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-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed