SCHEMBL11685698

SCHEMBL11685698

O=c1oc2cc(-c3cnn(-c4ccccc4)n3)ccc2cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAOB P27338 2/20 0.50
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 2/20 0.45
ESR2 Q92731 2/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ESR1 P03372 1/20 0.43
GAPDH P04406 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.41
SRC P12931 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
SCHEMBL11796911 0.92 MIF (0.50) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL11796905 0.86 NPC1 (0.46) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL11686369 0.84 NPC1 (0.51) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL11686365 0.82 NPC1 (0.49) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL12304251 0.75 NPC1 (0.54) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL5708104 0.74 NPC1 (0.57) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL9767790 0.73 NPC1 (0.56) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL17279823 0.72 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL3377170 0.70 MIF (0.58) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL2633294 0.70 NPC1 (0.58) MIFNPC1RAB9AKDM4EALDH1A1

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
US-4008248-A OPTICAL BRIGTENER BAYER AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed