SCHEMBL9530453

SCHEMBL9530453

CN(C)C=CC(=O)c1cccc(CCNC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.55
▸ ALDH1A1 P00352 9/20 0.55
▸ MAPT P10636 8/20 0.55
▸ HTT P42858 4/20 0.55
▸ GAA P10253 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 4/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GPR52 Q9Y2T5 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ MYC P01106 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL9533846 0.88 RECQL (0.56) RECQLALDH1A1MAPTHTTGAA
SCHEMBL9533855 0.88 RECQL (0.56) RECQLALDH1A1MAPTHTTGAA
SCHEMBL5478964 0.80 RECQL (0.60) RECQLALDH1A1MAPTHTTGAA
SCHEMBL5477573 0.79 MAPT (0.61) RECQLALDH1A1MAPTHTTGAA
SCHEMBL2961019 0.78 MAPT (0.53) RECQLALDH1A1MAPTHTTGAA
SCHEMBL2961017 0.78 MAPT (0.53) RECQLALDH1A1MAPTHTTGAA
SCHEMBL5946453 0.78 MAPT (0.77) RECQLALDH1A1MAPTHTTGAA
SCHEMBL5480229 0.77 BCHE (0.62) RECQLALDH1A1MAPTHTTGAA
SCHEMBL5800440 0.75 RECQL (0.71) RECQLALDH1A1MAPTHTTGAA
SCHEMBL22449502 0.75 RECQL (0.71) RECQLALDH1A1MAPTHTTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208846-B1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID CO (US) 1993-11-18 — — EP disclosed
US-4654347-A USEFUL AS ANXIOLYTIC AND ANTIEPILEPTIC AGENTS, SEDATIVE-HYPNOTIC AGENTS AND SKELETAL MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 — — US disclosed
EP-0208846-A1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1987-01-21 — — EP disclosed
US-4626538-A [7-(3-disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1986-12-02 — — US disclosed
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