SCHEMBL9255210

SCHEMBL9255210

C=CCCCc1cnc(-c2ccc(C(=O)Oc3ccc(F)cc3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 5/20 0.45
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.42
RARB P10826 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.37
LSS P48449 2/20 0.36
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.35
NR4A2 P43354 1/20 0.34

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
SCHEMBL9256719 0.86 THRB (0.45) MAPTSMN1; SMN2KMT2ATHRBATM
SCHEMBL9257554 0.84 MAPT (0.43) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL9253679 0.84 RARB (0.40) MAPTSMN1; SMN2KMT2ARARBALDH1A1
SCHEMBL10000259 0.83 RARB (0.62) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL9252022 0.83 RARB (0.40) MAPTSMN1; SMN2KMT2ATP53RARB
SCHEMBL9878447 0.81 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBRARB
SCHEMBL9878498 0.81 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBRARB
SCHEMBL9878709 0.81 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBRARB
SCHEMBL9878771 0.81 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBRARB
SCHEMBL9878535 0.81 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBRARB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed