SCHEMBL5323331

SCHEMBL5323331

COc1ccc(Cn2c(=O)cc(-c3ccc(C)cc3)n(-c3ccc(SC)cc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMD14 O00487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL5328955 0.89 TP53 (0.49) MAPTTP53POLB
SCHEMBL5324677 0.88 RGS4 (0.46) RGS4LMNARAB9A
SCHEMBL5325289 0.85 HSP90AA1 (0.38) RGS4MAPTTP53LMNARAB9A
SCHEMBL14622453 0.85 CYP11B1 (0.43) RGS4KDM4ELMNAHTTRAB9A
SCHEMBL5326762 0.84 LMNA (0.49) KDM4EMAPTLMNARAB9ASMN1; SMN2
SCHEMBL18931688 0.83 RGS4 (0.53) RGS4KDM4EMAPTLMNAHTT
SCHEMBL14622465 0.82 DNM1 (0.44) KDM4EMAPTTP53PSMD14ALDH1A1
SCHEMBL14624165 0.82 LMNA (0.37) RGS4KDM4EMAPTTP53LMNA
SCHEMBL5325697 0.81 RAD51 (0.40) LMNAHTTRAB9ASMN1; SMN2
SCHEMBL5288747 0.81 PTGS2 (0.38) KDM4EMAPTTP53LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed