SCHEMBL9841191

SCHEMBL9841191

CCC12CCC(c3ccc(S(F)(F)(F)(F)F)cc3)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
PDE2A O00408 3/20 0.32

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
SCHEMBL9841427 0.86 KDM1A (0.39) KDM1APDE2A
SCHEMBL9841327 0.83 KDM1A (0.37) KDM1A
SCHEMBL9841595 0.81 HSD11B1 (0.37) KDM1A
SCHEMBL9842082 0.78 KDM1A (0.38) KDM1APDE2A
SCHEMBL9841625 0.76 KDM1A (0.36) KDM1A
SCHEMBL9841890 0.75 NQO1 (0.32) KDM1APDE2A
SCHEMBL9841692 0.73 KDM1A (0.34) KDM1A
SCHEMBL9841410 0.72 KDM1A (0.33) KDM1A
SCHEMBL9061191 0.71 SLC6A4 (0.48) PDE2A
SCHEMBL16867794 0.65 KDM1A (0.53) KDM1APDE2A

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed
WO-1991000619-A1 FLYING LEADS FOR INTEGRATED CIRCUITS RAYCHEM CORPORATION (US) 1991-01-10 WO disclosed