SCHEMBL14844977

SCHEMBL14844977

CC(=O)Oc1cccc(C)c1-c1ccncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TTR P02766 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CHRM2 P08172 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
SCHEMBL18202141 0.82 PTPN1 (0.48) PTPN1POLBACHEKDM4ETDP1
SCHEMBL14844978 0.82 ACHE (0.46) PTPN1POLBACHEKDM4ETDP1
SCHEMBL12485233 0.81 KMT2A (0.46) POLBKDM4EMEN1KMT2AHTR2A
SCHEMBL24028144 0.80 CCNT1 (0.43) KDM4ETDP1CYP3A4ALDH1A1MEN1
SCHEMBL30212902 0.80 CCNT1 (0.43) KDM4ETDP1CYP3A4ALDH1A1MEN1
SCHEMBL14844837 0.80 POLM (0.50) POLBKDM4EMEN1KMT2AHTR2A
SCHEMBL14845171 0.79 POLM (0.52) KDM4EMEN1KMT2AHTR2A
SCHEMBL14844980 0.79 POLM (0.52) KDM4EMEN1KMT2AHTR2A
SCHEMBL12484603 0.79 POLM (0.52) KDM4EMEN1KMT2AHTR2A
SCHEMBL12483485 0.79 PTPN1 (0.42) PTPN1POLBACHEKDM4ETDP1

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-2763995-A1 CBP/CATENIN ANTAGONISTS FOR ENHANCING ASYMMETRIC DIVISION OF SOMATIC STEM CELLS University of Southern California (US) 2014-08-13 — — EP disclosed
WO-2013052162-A1 CBP/CATENIN ANTAGONISTS FOR ENHANCING ASYMMETRIC DIVISION OF SOMATIC STEM CELLS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-04-11 — — WO disclosed
Send feedback