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SCHEMBL20062902

SCHEMBL20062902

CC(C)c1ccc2c(c1)N(c1ccc(C(C)(C)C)nc1)/C(=C1\N(c3ccc(C(C)(C)C)nc3)c3ccc(C(C)C)cc3N1c1ccc(C(C)(C)C)nc1)N2c1ccc(C(C)(C)C)nc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MGLL Q99685 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
SCHEMBL20062894 0.82 CA12 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL20071891 0.80 IDH1 (0.31) —
SCHEMBL20062896 0.80 ELANE (0.33) —
SCHEMBL18905702 0.79 MGLL (0.38) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL18905748 0.79 MGLL (0.38) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL18905729 0.77 MGLL (0.48) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL20062893 0.77 PDPK1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL18905726 0.73 MGLL (0.41) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL18905747 0.73 MGLL (0.41) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL18905686 0.72 NOTUM (0.35) —

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 — — US disclosed