SCHEMBL20006960

SCHEMBL20006960

Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
ALOX12 P18054 1/20 0.67
TSHR P16473 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HPGD P15428 2/20 0.59
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 1/20 0.53

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
SCHEMBL5535276 0.84 KMT2A (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL3977460 0.76 HTT (0.65) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL12585052 0.75 MAPK1 (0.79) ALDH1A1ALOX12TSHRKMT2AHPGD
SCHEMBL4604079 0.75 GABRA5 (0.49) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL20006966 0.74 HPGD (0.67) ALDH1A1ALOX12TSHRPOLBMEN1
SCHEMBL13501815 0.74 ALDH1A1 (0.84) ALDH1A1ALOX12TSHRHPGDMAPK1
SCHEMBL13501814 0.74 ALDH1A1 (0.68) ALDH1A1ALOX12TSHRPOLBMEN1
SCHEMBL4248633 0.74 HTT (0.61) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL3975394 0.74 HTT (0.61) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL4974673 0.74 MAPK14 (0.51)

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
WO-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 WO disclosed