SCHEMBL28061552

SCHEMBL28061552

Cc1cc(C)n(CC2(Cc3cc[c]cc3OC(F)(F)F)CC2)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL28061589 0.79 SLC6A3 (0.35) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL28061573 0.76 ALDH1A1 (0.41) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL28061544 0.75 LMNA (0.39) LMNA
SCHEMBL28061570 0.74 EPHX2 (0.33)
SCHEMBL28061564 0.69 LIPE (0.35)
SCHEMBL3542512 0.66 EPHX2 (0.32)
SCHEMBL17029320 0.66 ALDH1A1 (0.47) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL13819873 0.65 ALDH1A1 (0.43) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL19825531 0.64 ALDH1A1 (0.46) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL16951433 0.63 CTSS (0.34) SLC6A2SLC6A3

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
CN-103649056-B Fused heterocyclic compounds as modulators of ion channels GILEAD SCIENCES, INC. (US) 2016-04-27 CN disclosed