SCHEMBL9350684

SCHEMBL9350684

O=C(/C=C/c1ccccc1)On1cccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PLIN1 O60240 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL10800114 0.73 MAPT (0.65) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL7213005 0.72 LMNA (0.52) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL869265 0.70 MAPT (0.64) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL775716 0.70 MAPT (0.64) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL21803794 0.70 MAPT (0.64) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9247555 0.70 MAPT (0.64) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL128494 0.70
SCHEMBL869266 0.70 MAPT (0.64) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL126771 0.70 GLA (0.55) LMNAMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL1006098 0.70 GLA (0.55) LMNAMAPTSMN1; SMN2HDAC3HDAC4

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
EP-0293220-B1 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMA CORP (US) 1994-08-31 EP claimed
EP-0293220-A2 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMACEUTICAL CORPORATION (US) 1988-11-30 EP claimed