SCHEMBL14065149

SCHEMBL14065149

CN(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNPLA2 Q96AD5 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CHKA P35790 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL19698856 0.95 PNPLA2 (0.56) PNPLA2HDAC6MAPTSMN1; SMN2CHKA
SCHEMBL2778637 0.91 ALDH1A1 (0.61) MAPTSMN1; SMN2CHKAALDH1A1TSHR
SCHEMBL15125583 0.91 ALDH1A1 (0.61) MAPTSMN1; SMN2CHKAALDH1A1TSHR
SCHEMBL17775059 0.89 PNPLA2 (0.51) PNPLA2HDAC6MAPTSMN1; SMN2ALDH1A1
Phosphine SCHEMBL28255440 0.88 ALDH1A1 (0.58) MAPTSMN1; SMN2CHKAALDH1A1TSHR
Hydrochloric Acid SCHEMBL2861594 0.88 ALDH1A1 (0.58) MAPTSMN1; SMN2CHKAALDH1A1TSHR
SCHEMBL29239352 0.88 ALDH1A1 (0.58) MAPTSMN1; SMN2CHKAALDH1A1TSHR
SCHEMBL29520575 0.86 PNPLA2 (0.53) PNPLA2HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL6723803 0.86 CHKA (0.49) PNPLA2HDAC6CHKAALDH1A1MEN1
SCHEMBL6723846 0.86 CHKA (0.49) PNPLA2HDAC6CHKAALDH1A1MEN1

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-7429426-B2 Organometallic compounds for use in electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-09-30 — — US disclosed
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