SCHEMBL11717796

SCHEMBL11717796

CCCC(=O)NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 13/20 0.60
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC3 O15379 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL11718420 0.92 CYP1B1 (0.60) CYP1B1ALDH1A1POLBRXFP1HDAC1
SCHEMBL11711675 0.85 KMT2A (0.54) CYP1B1ALDH1A1POLBHDAC1HDAC6
SCHEMBL11708227 0.85 L3MBTL1 (0.64) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL11713364 0.84 ALDH1A1 (0.60) ALDH1A1POLBHDAC1HDAC6KDM4E
SCHEMBL28411749 0.82 KDM4E (0.53) CYP1B1ALDH1A1HDAC1HDAC6KDM4E
SCHEMBL29053318 0.81 CYP1B1 (0.63) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL11712409 0.81 CYP1B1 (0.53) CYP1B1ALDH1A1POLBRXFP1HDAC1
SCHEMBL11713257 0.81 CYP1B1 (0.52) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL11712197 0.81 CYP1B1 (0.50) CYP1B1ALDH1A1POLBRXFP1HDAC1
SCHEMBL10137923 0.80 CYP1B1 (0.51) CYP1B1ALDH1A1POLBRXFP1HDAC1

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-4055565-A Optical brightening agents of naphthalimide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-10-25 — — US disclosed
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