SCHEMBL18201976

SCHEMBL18201976

Cc1ccc(-c2cc3c(ccc4ccccc43)cn2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ ATM Q13315 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP2A6 P11509 4/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL13863582 0.86 ALDH1A1 (0.49) KDM4ENPC1ALDH1A1CYP1A2HSD17B10
SCHEMBL18202015 0.85 CYP11B1 (0.47) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL18201998 0.81 NPC1 (0.45) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL13863581 0.78 TDP1 (0.39) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL30063855 0.78 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL13169242 0.78 ALDH1A1 (0.47) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL18202007 0.77 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL18202008 0.76 ALDH1A1 (0.47) MAPTMEN1KMT2ANPC1ATM
SCHEMBL14407619 0.76 CYP1A2 (0.41) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL18202006 0.74 ALDH1A1 (0.49) MAPTNPC1ALDH1A1CYP1A2HSD17B10

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
EP-2217607-B1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT EMITTING DEVICE AND DISPLAY APPARATUS USING THE SAME CANON KK (JP) 2016-11-02 — — EP disclosed
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