SCHEMBL4508129

SCHEMBL4508129

O=C(NCc1ccccc1)Nn1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
GSK3B P49841 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
EPHX1 P07099 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 1/20 0.43
ASAH1 Q13510 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4103018 0.89 HTT (0.51) SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL4102925 0.86 FES (0.52) KDM4ESMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL4113322 0.84 BACE1 (0.44) KDM4ETP53ALDH1A1KMT2AHPGD
SCHEMBL4108478 0.82 CA12 (0.52) HSD17B10ALDH1A1CA12CA1CA2
SCHEMBL4097578 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4096892 0.77 KMT2A (0.49) KDM4EHSD17B10ALDH1A1POLBCA12
SCHEMBL4106629 0.77 CA12 (0.52) KDM4ESMN1; SMN2EPHX1TP53EPHX2
SCHEMBL27312078 0.76 ASAH1 (0.57) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL16728178 0.75 EPHX1 (0.47) KDM4ESMN1; SMN2EPHX1TP53ALDH1A1
SCHEMBL714625 0.73 EPHX1 (0.77) KDM4EGSK3BSMN1; SMN2EPHX1TP53

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-2009106753-A1 NOVEL DERIVATIVES OF 1H-INDOL-1-YL UREA, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-09-03 WO disclosed
EP-2078716-A1 New derivatives of 1H-indol-1-yl-urea, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-07-15 EP disclosed