SCHEMBL9030683

SCHEMBL9030683

CC(c1ccc(=O)[nH]n1)c1ccc(C(=O)c2ccccc2Cl)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.34
AKR1B1 P15121 3/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BDKRB1 P46663 4/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 2/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8906160 0.86 POLB (0.44) KMT2AALDH1A1AKR1B1HTTL3MBTL1
SCHEMBL8904850 0.83 ALDH1A1 (0.40) KMT2AALDH1A1AKR1B1HTTL3MBTL1
SCHEMBL8905531 0.80 CYP3A4 (0.43) KMT2AALDH1A1AKR1B1POLBLMNA
SCHEMBL8904327 0.78 RAB9A (0.35) KMT2AALDH1A1LMNAF2MAPT
SCHEMBL9030270 0.78 PDE3B (0.42) KMT2AALDH1A1HTTL3MBTL1LMNA
SCHEMBL8905805 0.77 LMNA (0.38) KMT2AALDH1A1AKR1B1HTTL3MBTL1
SCHEMBL9030473 0.77 PKM (0.36) KMT2AALDH1A1HTTL3MBTL1POLB
SCHEMBL8905938 0.76 MEN1 (0.38) KMT2AALDH1A1AKR1B1HTTL3MBTL1
SCHEMBL8904194 0.76 CCNA2 (0.38) KMT2AALDH1A1AKR1B1HTTL3MBTL1
SCHEMBL8904574 0.74 NPC1 (0.42) KMT2AALDH1A1HTTL3MBTL1POLB

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-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed