SCHEMBL8552168

SCHEMBL8552168

CCCc1nc(C)sc1Oc1c(C)cc(-c2noc(C(F)F)n2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
S1PR1 P21453 11/20 0.35
S1PR3 Q99500 10/20 0.35
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 1/20 0.30

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
SCHEMBL8553627 0.91 HDAC4 (0.35) HDAC4S1PR1S1PR3NR1I2CYP3A4
SCHEMBL8552618 0.86 L3MBTL1 (0.37) S1PR1S1PR3NR1I2CYP3A4CYP2D6
SCHEMBL8552757 0.83 NR1I2 (0.50) HDAC4NR1I2CYP3A4CYP2D6
SCHEMBL8691199 0.79 HDAC4 (0.35) HDAC4S1PR1S1PR3NR1I2CYP3A4
SCHEMBL8558793 0.77 HDAC4 (0.35) HDAC4S1PR1S1PR3NR1I2CYP3A4
SCHEMBL8555395 0.76 L3MBTL1 (0.36) S1PR1S1PR3NR1I2CYP3A4CYP2D6
SCHEMBL8554371 0.74 NR1I2 (0.49) HDAC4NR1I2CYP3A4CYP2D6
SCHEMBL8551731 0.73 SMN1; SMN2 (0.31) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9089195 0.72 NR1I2 (0.46) HDAC4S1PR1S1PR3NR1I2CYP3A4
SCHEMBL6976401 0.71 NR1I2 (0.45) HDAC4S1PR1S1PR3NR1I2CYP3A4

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
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed