SCHEMBL2932146

SCHEMBL2932146

COc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(SF)cc4)C(=O)C3C)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
F2 P00734 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NR3C2 P08235 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3727112 0.91 IGF1R (0.54) IGF1RNPC1RAB9AMAPTPKM
SCHEMBL2999377 0.89 MAPT (0.43) IGF1RNPC1RAB9AMAPTPKM
SCHEMBL2940910 0.86 IGF1R (0.51) IGF1RNPC1RAB9AMAPTPKM
SCHEMBL2938398 0.82 IGF1R (0.53) IGF1RNPC1RAB9A
SCHEMBL2939261 0.82 ACKR3 (0.44) IGF1RNPC1RAB9AMAPTPKM
SCHEMBL2942815 0.82 IGF1R (0.53) IGF1RSMO
SCHEMBL2939956 0.82 SMO (0.47) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL2940716 0.81 IGF1R (0.54) IGF1RSMO
SCHEMBL3732841 0.81 SMO (0.46) IGF1RNPC1RAB9APKMTP53
SCHEMBL2941236 0.77 IGF1R (0.53) IGF1RNPC1RAB9AMAPTTP53

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
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed