SCHEMBL11044296

SCHEMBL11044296

CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(NNC(=O)I)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
EPHX2 P34913 1/20 0.55
GHSR Q92847 3/20 0.54
S1PR1 P21453 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL11045580 0.99 EPHX1 (0.62) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11041703 0.88 KMT2A (0.57) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11033138 0.87 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11034317 0.87 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL6438783 0.87 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7270458 0.84 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804544 0.84 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL13804536 0.84 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7264190 0.84 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL8756663 0.84 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2

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-4481285-A IMPROVED SHAPPNESS AND EDGE EFFECTS FUJI PHOTO FILM CO., LTD. (JP) 1984-11-06 US disclosed