SCHEMBL20954002

SCHEMBL20954002

O=C(c1ccccc1)n1ccc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
F2 P00734 2/20 0.45
PLAU P00749 2/20 0.45
KLKB1 P03952 2/20 0.45
ELANE P08246 2/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 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
SCHEMBL20979545 0.77 MAPT (0.37) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL15772468 0.77 MAPT (0.56) SMN1; SMN2KDM4EMAOBMAPTLMNA
SCHEMBL16348315 0.75 MAPT (0.45) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL17224648 0.74 KMT2A (0.68) KMT2ATDP1L3MBTL1HPGDSMN1; SMN2
SCHEMBL16348304 0.73 CACNA1G (0.45) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL366947 0.72 IDO1 (0.50) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1224671 0.69 RAB9A (0.54) KMT2ATDP1L3MBTL1HPGDSMN1; SMN2
SCHEMBL2403689 0.68 KDM4C (0.69) KDM4ECYP19A1
SCHEMBL13523181 0.68 IDO1 (0.44) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5990815 0.67 CYP19A1 (0.56) KMT2AHPGDSMN1; SMN2NPC1RAB9A

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
EP-3010915-B1 SUBSTITUTED (3-(5-CHLORO-2-HYDROXYPHENYL)-1-BENZOYL-1H-PYRAZOLE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2019-05-08 EP disclosed