SCHEMBL4715517

SCHEMBL4715517

COC(=O)c1cc(OCc2ccccc2)c2[nH]c(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PPIA P62937 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
DHODH Q02127 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3273708 0.82 DHODH (0.54) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL5591575 0.80 PPARA (0.47) LMNAMAPTSMN1; SMN2STAT3HTT
SCHEMBL16015342 0.79 LMNA (0.67) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL4662882 0.78 STAT3 (0.47) MAPTL3MBTL1SMN1; SMN2DHODHMAPK1
SCHEMBL18009394 0.78 HPGD (0.55) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL22300744 0.77 LMNA (0.52) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL28448203 0.76 HPGD (0.71) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL2338199 0.76 HPGD (0.76) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL7619113 0.75 L3MBTL1 (0.54) LMNAMAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL15476491 0.75 HPGD (0.65) LMNAHPGDSMPD1HDAC1HDAC8

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-1963311-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS Pfizer, Inc. (US) 2008-09-03 EP disclosed
WO-2007072146-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed