SCHEMBL16620552

SCHEMBL16620552

O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
MCL1 Q07820 1/20 0.61
EPHX2 P34913 7/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3994030 0.91 EPHX2 (0.70) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16628031 0.86 RAF1 (0.61) SMN1; SMN2LMNAEPHX2GAAHSD17B10
SCHEMBL16621099 0.83 MAPT (0.71) MAPTSMN1; SMN2LMNAHTTNPC1
SCHEMBL4005092 0.83 EPHX2 (0.69) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16628043 0.83 HIF1A (0.69) SMN1; SMN2MEN1KMT2AHTTEPHX2
SCHEMBL13528823 0.82 KDR (0.60) MAPTEPHX2
SCHEMBL4180664 0.81 MAPT (0.65) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4922234 0.80 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5863121 0.80 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1927233 0.80 CSF1R (0.55) MAPTLMNAMEN1KMT2AGAA

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-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed