SCHEMBL11879993

SCHEMBL11879993

CN(C)c1cc(C(O)C(N)C(C)(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ RECQL P46063 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ BLM P54132 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ APP P05067 3/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL27750307 0.78 TDP1 (0.49) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL11875188 0.77 SLC6A4 (0.51) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL11881114 0.74 TDP1 (0.45) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL10884603 0.74 ADRB2 (0.56) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL11877952 0.71 ADRB2 (0.63) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL11881824 0.69 ESR1 (0.45) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL14597245 0.66 ESR1 (0.57) TDP1RECQLMAPTLMNABLM
SCHEMBL6644245 0.66 ALDH1A1 (0.59) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL11880944 0.66 ADRB2 (0.69) TDP1KDM4EMAPTLMNABLM
SCHEMBL8536213 0.65 APP (0.53) TDP1KDM4ERECQLMAPTLMNA

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-3943173-A 3-Alkylamino- alpha-aminomethyl-4-hydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-03-09 — — US claimed
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