SCHEMBL14016799

SCHEMBL14016799

COc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(OC)c([N+](=O)[O-])cc2C)C4=O)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ BRD1 O95696 1/20 0.42
▸ TAF1 P21675 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ MAPT P10636 2/20 0.40

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
SCHEMBL14016794 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL14016785 0.92 MEN1 (0.46) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL14016781 0.92 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL6154621 0.90 LMNA (0.51) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL14016764 0.74 ESR1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AESR1
SCHEMBL12556877 0.73 TDP1 (0.56) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL8089043 0.73 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL517482 0.72 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL6370714 0.71 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL22028444 0.70 SIRT6 (0.61) ALDH1A1LMNASMN1; SMN2KMT2APOLB

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-7432029-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivatives and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 — — US disclosed
US-7432029-B2 Electrophotographic photoreceptor containing asymmetrical naphthalenetetracarboxylic acid diimide derivatives and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 — — US disclosed
Send feedback