SCHEMBL9060702

SCHEMBL9060702

CCCCCCCc1cnc(-c2ccc(SC(F)F)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.58
RAB9A P51151 7/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 5/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL9061288 1.00 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9061940 1.00 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9061412 1.00 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9062231 1.00 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9061048 0.99 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9061401 0.94 RARB (0.50) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9061136 0.89 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9234326 0.84 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9239161 0.84 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9236750 0.84 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1

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-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed