SCHEMBL8930628

SCHEMBL8930628

N#Cc1cc([N+](=O)[O-])ccc1NCC(O)CO

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.67
RECQL P46063 1/20 0.58
ALDH1A1 P00352 8/20 0.51
LMNA P02545 4/20 0.49
VCAM1 P19320 1/20 0.47
BCL6 P41182 1/20 0.45
BCOR Q6W2J9 1/20 0.45
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8434723 0.81 RECQL (0.70) GLARECQLALDH1A1LMNAVCAM1
SCHEMBL9650193 0.81 GLA (0.49) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL3868568 0.80 MAPT (0.56) GLAALDH1A1LMNAMAPTKMT2A
SCHEMBL10442762 0.77 MEN1 (0.52) GLAALDH1A1LMNAMAPTKMT2A
SCHEMBL9575517 0.77 RECQL (0.65) GLARECQLALDH1A1LMNAVCAM1
SCHEMBL6572033 0.77 MYC (0.48) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL9517671 0.77 KAT2B (0.57) GLAALDH1A1LMNAVCAM1MAPT
SCHEMBL8440432 0.77 GLA (0.44) GLAALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL8436276 0.76 GLA (0.43) GLAALDH1A1LMNAMAPTKDM4E
SCHEMBL8446303 0.76 RECQL (0.67) GLARECQLALDH1A1LMNAVCAM1

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-0797980-A1 Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds Wella Aktiengesellschaft (DE) 1997-10-01 EP disclosed