SCHEMBL9237261

SCHEMBL9237261

CCCc1cnc(-c2ccc(OC(=O)C(C)Cl)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
THRB P10828 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
RARB P10826 1/20 0.46
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ACACB O00763 3/20 0.38
ACACA Q13085 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL9237255 1.00 MAPT (0.47) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9237594 0.93 RARB (0.53) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9237597 0.93 RARB (0.53) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9239809 0.91 RARB (0.58) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9239813 0.91 RARB (0.58) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9240007 0.90 RARB (0.60) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9236919 0.90 RARB (0.60) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9239151 0.90 RARB (0.60) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9238268 0.90 RARB (0.60) MAPTTHRBSMN1; SMN2RARBRAB9A
SCHEMBL9238267 0.90 RARB (0.60) MAPTTHRBSMN1; SMN2RARBRAB9A

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-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed