SCHEMBL9841692

SCHEMBL9841692

CCCCOC12CCC(c3ccc(S(F)(F)(F)(F)F)cc3)(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 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
SCHEMBL9841410 0.96 KDM1A (0.33) KDM1AMEN1KMT2A
SCHEMBL9841553 0.94 KDM1A (0.33) KDM1AMEN1KMT2A
SCHEMBL9841861 0.94 KDM1A (0.33) KDM1AMEN1KMT2A
SCHEMBL9841587 0.94 KDM1A (0.33) KDM1AMEN1KMT2A
SCHEMBL9841625 0.91 KDM1A (0.36) KDM1AOPRM1
SCHEMBL9842082 0.85 KDM1A (0.38) KDM1A
Fluoride SCHEMBL9841686 0.79 MEN1 (0.35) MEN1KMT2ASLC6A4OPRM1
SCHEMBL9841327 0.78 KDM1A (0.37) KDM1AOPRM1
SCHEMBL9841595 0.75 HSD11B1 (0.37) KDM1A
Fluoride SCHEMBL9841583 0.74 MEN1 (0.33) MEN1KMT2ASLC6A4OPRM1

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed