SCHEMBL11565071

SCHEMBL11565071

O=C(Nc1nnn[nH]1)c1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ GFER P55789 2/20 0.49
▸ CES2 O00748 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ GAA P10253 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL11562472 0.88 P2RX1 (0.46) KDM4ELMNACA12CA1CA2
SCHEMBL11557569 0.86 PNLIP (0.40) KDM4ELMNAPOLBMAPTALPL
SCHEMBL11564078 0.86 P2RX1 (0.48) ALOX15KDM4EHTTLMNAMEN1
SCHEMBL11564423 0.86 KDR (0.49) ALOX15KDM4EHTTLMNATSHR
SCHEMBL11559729 0.85 KLKB1 (0.51) ALDH1A1ALOX15HTTLMNAMEN1
SCHEMBL11559054 0.82 NR1H4 (0.50) ALDH1A1ALOX15KDM4EKMT2APOLB
SCHEMBL11554274 0.82 SMN1; SMN2 (0.43) ALDH1A1GFERALOX15KDM4EHTT
SCHEMBL11562704 0.82 P2RX1 (0.45) GAAMEN1KMT2A
SCHEMBL11556748 0.82 SMN1; SMN2 (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11105640 0.82 KDM4E (0.60) ALDH1A1KDM4EHTTLMNATSHR

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-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 — — US disclosed
Send feedback