SCHEMBL9214142

SCHEMBL9214142

Nc1onc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.47
SOS2 Q07890 1/20 0.47
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40
PIK3CG P48736 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM1 P11229 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
POLB P06746 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
SCHEMBL9955974 0.79 ALDH1A1 (0.46) NR4A2SOS2MAPTALOX15LMNA
SCHEMBL15922137 0.79 KMT2A (0.41) MAPTLMNAALDH1A1HPGDACHE
SCHEMBL21596940 0.76 ENPP2 (0.45) MAPTALOX15LMNAALDH1A1HPGD
SCHEMBL2144895 0.76 BACE1 (0.42) MAPTCYP1A2ALDH1A1ACHEBCHE
SCHEMBL8947000 0.72 ACHE (0.43) MAPTLMNACYP1A2THRBALDH1A1
SCHEMBL14921424 0.70 MEN1 (0.50) MAPTALOX15LMNAMAPK1ALDH1A1
SCHEMBL21596920 0.69 PIK3CD (0.43) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL21596938 0.68 LMNA (0.37) LMNAALDH1A1DYRK1A
SCHEMBL482377 0.68 IDO1 (0.47) NR4A2SOS2MAPTALOX15LMNA
SCHEMBL9955960 0.67 ALDH1A1 (0.59) NR4A2MAPTLMNAMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
EP-0669920-A4 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. HOECHST ROUSSEL PHARMA (US) 1995-10-25 EP disclosed
EP-0669920-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, Inc. (US) 1995-09-06 EP disclosed