SCHEMBL9013718

SCHEMBL9013718

Cc1cc(O)n(C(C)NCCO)c(=O)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.36
UPP1 Q16831 2/20 0.36

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
SCHEMBL11235934 0.88 KDM4E (0.45) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11228910 0.82 KDM4E (0.48) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11042949 0.78 KDM4E (0.53) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL4801774 0.77 KDM4E (0.55) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL10962110 0.76 KDM4E (0.51) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL8043774 0.76 KDM4E (0.50) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11238930 0.75 LMNA (0.43) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL5365754 0.75 KDM4E (0.49) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL9013810 0.75 IDH1 (0.31) KDM4EMEN1KMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL11508335 0.74 ALDH1A1 (0.34) KDM4EALDH1A1

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
EP-0471454-B1 Reactive pyridone azo dyestuffs ZENECA LTD (GB) 1996-12-04 EP disclosed
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed