SCHEMBL7104656

SCHEMBL7104656

NCc1cc(N)ccc1NC(=O)CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC3 O15379 5/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL7110198 0.86 POLB (0.54) TDP1GAAKMT2AKDM4EALDH1A1
SCHEMBL7104681 0.82 ALDH1A1 (0.53) TDP1GAAKMT2AKDM4EALDH1A1
SCHEMBL7110800 0.81 KMT2A (0.58) TDP1GAAKMT2AKDM4EMAPK1
SCHEMBL7111223 0.78 SOAT1 (0.51) TDP1GAAKMT2AKDM4EHDAC3
SCHEMBL7106301 0.74 ALDH1A1 (0.54) GAAKMT2AKDM4EALDH1A1POLB
SCHEMBL7109810 0.73 POLB (0.70) GAAKMT2AALDH1A1POLBCYP2C19
SCHEMBL7108896 0.73 PPARG (0.51) TDP1GAAKMT2AKDM4EHDAC3
SCHEMBL14003559 0.73 TDP1 (0.68) TDP1GAAKDM4EALDH1A1POLB
SCHEMBL4373136 0.72 GAA (0.44) TDP1GAAKMT2AKDM4EALDH1A1
SCHEMBL9369812 0.72 HDAC1 (0.78) GAAKMT2AKDM4EALDH1A1POLB

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 — — EP disclosed
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