SCHEMBL8784223

SCHEMBL8784223

O=C1c2ccccc2CC(O)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
APAF1 O14727 2/20 0.50
HPGD P15428 2/20 0.50
SIGMAR1 Q99720 2/20 0.46
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 2/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
ATM Q13315 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
SCHEMBL13587856 0.77 CAPN1 (0.39) KMT2AALDH1A1MAPTAPAF1GAA
SCHEMBL27389863 0.75 TSHR (0.41) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL8784145 0.75 TSHR (0.45) KMT2AMEN1ALDH1A1MAPTAPAF1
SCHEMBL23445600 0.74 RNASEH1 (0.49) KMT2AALDH1A1GAARAB9AHSD17B10
SCHEMBL14297633 0.73 HPGD (0.39) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6236827 0.73 HPGD (0.68) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL1619264 0.73 HPGD (0.68) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL29760295 0.73 HPGD (0.68) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL28922579 0.72 HTR2C (0.49) KMT2AACHEKDM4ETSHR
SCHEMBL11246035 0.72 KMT2A (0.44) KMT2AALDH1A1RAB9AHSD17B10ACHE

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-0674625-B1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER (US) 1997-12-10 EP disclosed
US-5668145-A Amino-substituted pyrazoles having CRF antagonistic activity PFIZER INC. (US) 1997-09-16 US disclosed
EP-0674625-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013644-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1994-06-23 WO disclosed