SCHEMBL11567968

SCHEMBL11567968

COc1ccc(N(NCl)C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
TP53 P04637 3/20 0.53
NPC1 O15118 3/20 0.50
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTGS2 P35354 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
MAOA P21397 1/20 0.50
HSP90AA1 P07900 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL31676582 0.86 PTGS2 (0.55) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL17213443 0.80 HPGD (0.62) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL4555534 0.79 HPGD (0.60) HPGDTP53NPC1MAOBSMN1; SMN2
Hydrochloric Acid SCHEMBL2695169 0.78 HPGD (0.58) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL2113098 0.77 HPGD (0.57) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL4027589 0.76 CA1 (0.51) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL11217740 0.75 PTGIR (0.53) HPGDTP53SMN1; SMN2PTGS2HSP90AA1
SCHEMBL2694791 0.74 HPGD (0.54) HPGDTP53NPC1MAOBSMN1; SMN2
SCHEMBL11311239 0.74 HPGD (0.54) HPGDTP53NPC1SMN1; SMN2MAPT
SCHEMBL4555528 0.74 HPGD (0.54) HPGDTP53NPC1MAOBSMN1; SMN2

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-4165428-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETICS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1979-08-21 US disclosed