SCHEMBL5364937

SCHEMBL5364937

COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
MAPT P10636 6/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 3/20 0.65
ALOX15 P16050 2/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
KMT2A Q03164 1/20 0.65
NR1H4 Q96RI1 3/20 0.58
BACE1 P56817 2/20 0.51
GAA P10253 8/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
LMNA P02545 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL5371356 0.84 NR1H4 (0.80) KDM4ENR1H4BACE1BRD4ATM
SCHEMBL5369551 0.79 KDM4E (0.75) KDM4EMAPTHSD17B10NR1H4BACE1
SCHEMBL5372147 0.78 GAA (0.66) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL15332882 0.70 KDM4E (0.59) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL5421593 0.70 NR1H4 (0.81) KDM4EALDH1A1NR1H4GAARAB9A
SCHEMBL1609483 0.69 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL5370506 0.68 GAA (0.80) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1052939 0.67 PIK3CG (0.86)
SCHEMBL12738233 0.67 ALDH1A1 (0.53) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1946565 0.67 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed