SCHEMBL10690439

SCHEMBL10690439

COc1ccc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 4/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
TYK2 P29597 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KLF5 Q13887 1/20 0.40
MPO P05164 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9501851 0.84 MPO (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL9501844 0.83 PLG (0.43) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL10693540 0.82 KCNK3 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11559729 0.82 KLKB1 (0.51) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10690551 0.81 ALPL (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11563381 0.81 LRRK2 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11559083 0.80 P2RX1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL10693184 0.78 PDE4D (0.36) NPC1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL10690737 0.78 PDE4D (0.36) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9501510 0.78 MPO (0.41) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US claimed
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed