SCHEMBL16557940

SCHEMBL16557940

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)ccc5c(-c5ccc6ccccc6c5)c4c3)ccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34

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
SCHEMBL16455804 0.96 GRM5 (0.41) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16557931 0.92 GRM5 (0.42) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16557753 0.89 GRM5 (0.43) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16557738 0.89 GRM5 (0.42) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16455796 0.88 GRM5 (0.43) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16456256 0.88 GRM5 (0.44) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16560674 0.88 CYP17A1 (0.38) ATMKDM4ECYP17A1CYP11B1CYP11B2
SCHEMBL16557928 0.88 CYP17A1 (0.38) ATMKDM4ECYP17A1CYP11B1CYP11B2
SCHEMBL16557764 0.88 GRM5 (0.43) GRM5SMN1; SMN2ATMKDM4EALDH1A1
SCHEMBL16456250 0.87 GRM5 (0.42) GRM5SMN1; SMN2ATMKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
US-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
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