SCHEMBL9622950

SCHEMBL9622950

COc1ccc2[nH]c3c(C)c(C(=O)O)c(C(=O)O)c(C)c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
RECQL P46063 2/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
TLR3 O15455 1/20 0.55
NR3C1 P04150 1/20 0.55
KIT P10721 1/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 6/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDGFRB P09619 1/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 1/20 0.52
DYRK1A Q13627 2/20 0.51

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
SCHEMBL9622712 0.94 ALDH1A1 (0.50) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL1434196 0.79 ALDH1A1 (0.67) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL9623045 0.78 KDM4E (0.55) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL9622618 0.77 KDM4E (0.50) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL2396662 0.77 KDM4E (0.72) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL31486241 0.75 ALDH1A1 (0.65) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL9623211 0.75 KDM4E (0.49) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL9622716 0.75 PDGFRB (0.58) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL30037086 0.74 KDM4E (0.56) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL6009824 0.74 MAPT (0.56) KDM4EMEN1KMT2AMAPTRECQL

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
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed