SCHEMBL7048751

SCHEMBL7048751

COc1cc(C(N)=O)c([AsH2])cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SRD5A1 P18405 2/20 0.50
SRD5A2 P31213 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
RXRA P19793 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6453692 0.88 SMN1; SMN2 (0.52) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL159448 0.85 HTT (0.55) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL874091 0.85 HTT (0.55) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL1656948 0.84 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL19983333 0.82 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL8039259 0.81 LMNA (0.51) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL160400 0.80 MEN1 (0.57) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL873729 0.80 MEN1 (0.57) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL3138320 0.78 CTSV (0.57) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL4728946 0.78 CTSV (0.57) SMPD1HDAC1HDAC8HDAC6NPC1

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
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO disclosed