SCHEMBL10466019

SCHEMBL10466019

O=c1n(O)ccn1Cc1cccc(Oc2ccccc2)c1.O=c1n(O)ccn1Cc1cccc(Oc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCR8 P51685 4/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GRM2 Q14416 1/20 0.36

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
SCHEMBL9878023 0.91 KLKB1 (0.35) —
SCHEMBL9877285 0.88 KDM4E (0.47) FAAHHDAC1KDM4EALDH1A1LMNA
SCHEMBL10077158 0.71 KDM4E (0.47) KDM4EALDH1A1LMNASMN1; SMN2MGLL
SCHEMBL9876997 0.66 MAPK14 (0.55) KDM4EALDH1A1LMNASMN1; SMN2TP53
SCHEMBL19370631 0.66 DAO (0.50) FAAHKDM4EALDH1A1LMNAGAA
SCHEMBL11175776 0.65 KCNH2 (0.44) ALDH1A1SMN1; SMN2TDP1HPGDHTT
SCHEMBL2893839 0.65 F2 (0.46) ALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL15923547 0.65 KMT2A (0.60) FAAHKDM4EALDH1A1LMNAGAA
SCHEMBL9877955 0.64 HDAC8 (0.49) FAAHKDM4EALDH1A1LMNAGAA
SCHEMBL14282017 0.63 KCNH2 (0.50) MAPT

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-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 — — US disclosed
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