SCHEMBL20146680

SCHEMBL20146680

CCCc1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 2/20 0.33
AGTR1 P30556 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARA Q07869 1/20 0.33
CNR2 P34972 1/20 0.33
CHKA P35790 1/20 0.33
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL3140622 0.96 ALDH1A1 (0.35) HPGDALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24631166 0.89 TP53 (0.39) HPGDALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL13809371 0.88 POLB (0.33) HPGDALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3145597 0.86 LTB4R2 (0.39) HPGDGAAALOX5
SCHEMBL27631640 0.84 CYP2C19 (0.39) HPGDALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL3145011 0.83 LIPG (0.46) ALDH1A1MAPTPPARA
SCHEMBL14840110 0.82 HTR1A (0.38) HPGDALDH1A1KDM4ETAAR1GAA
SCHEMBL3144684 0.81 POLB (0.41) HPGDALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL513928 0.80 ADORA3 (0.38) HPGDALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL806152 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EL3MBTL1TSHR

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-2917198-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-16 EP disclosed