SCHEMBL21401733

SCHEMBL21401733

COc1cccc(C2CC(c3ccc(Br)cc3)=NN2C)c1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ HTT P42858 1/20 0.65
▸ MAPT P10636 5/20 0.58
▸ LMNA P02545 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ YAP1 P46937 1/20 0.54
▸ TEAD4 Q15561 1/20 0.54
▸ CA2 P00918 2/20 0.54
▸ HTR2B P41595 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CA1 P00915 1/20 0.49
▸ MAOB P27338 4/20 0.48
▸ MAOA P21397 3/20 0.48

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
SCHEMBL21401878 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL25549195 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL21393098 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052324 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052152 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL21392919 0.81 YAP1 (0.83) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052355 0.80 KMT2A (0.86) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052357 0.78 MEN1 (0.84) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052455 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052499 0.73 MEN1 (0.74) ALDH1A1KDM4ESMN1; SMN2HTTMAPT

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-2019183600-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 — — WO disclosed
Send feedback