SCHEMBL9101496

SCHEMBL9101496

C#CC(O)(c1ccc2oc3ccccc3c2c1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
AHR P35869 2/20 0.36
CDC14B O60729 2/20 0.35
CDC14A Q9UNH5 2/20 0.35
IDO1 P14902 2/20 0.35
LMNA P02545 3/20 0.34
BCAT1 P54687 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL9100003 0.83 MAPT (0.42) MEN1KMT2ANPC1HPGDMAPT
SCHEMBL9101266 0.81 MAPT (0.41) MEN1KMT2ANPC1HPGDMAPT
SCHEMBL9670139 0.73 KCNN4 (0.47) KDM4EALDH1A1
SCHEMBL8718999 0.73 KMT2A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9258611 0.71 CYP19A1 (0.41) MEN1KMT2ANPC1HPGDMAPT
SCHEMBL7122472 0.71 NFE2L2 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31558552 0.70 NPC1 (0.50) MEN1KMT2ANPC1HPGDMAPT
SCHEMBL7807844 0.70 PRKCI (0.38) NPC1MAPTRAB9AKDM4E
SCHEMBL7816756 0.69 CYP19A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7123446 0.68 RELA (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed