SCHEMBL8535836

SCHEMBL8535836

Cc1ccc(-c2ccc(C(=O)CCC#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
LMNA P02545 2/20 0.43
FFAR1 O14842 1/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.41
PAX8 Q06710 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11728908 0.95 KMT2A (0.58) KMT2AGSK3BSMN1; SMN2L3MBTL1RAB9A
SCHEMBL10353860 0.85 NPC1 (0.46) KMT2AGSK3BSMN1; SMN2L3MBTL1HPGD
SCHEMBL28342825 0.84 KMT2A (0.55) KMT2AGSK3BRAB9ANPC1MEN1
SCHEMBL2118359 0.78 KMT2A (0.60) KMT2AGSK3BSMN1; SMN2L3MBTL1RAB9A
SCHEMBL7368111 0.78 NPC1 (0.61) L3MBTL1RAB9ANPC1POLBALDH1A1
SCHEMBL16552778 0.77 KMT2A (0.83) KMT2AGSK3BSMN1; SMN2L3MBTL1RAB9A
SCHEMBL8533727 0.77 GSK3B (0.53) KMT2AGSK3BHPGDMEN1LMNA
SCHEMBL9733687 0.77 HAO1 (0.43) KMT2AGSK3BSMN1; SMN2L3MBTL1HPGD
SCHEMBL7857467 0.77 KMT2A (0.89) KMT2AGSK3BSMN1; SMN2L3MBTL1HPGD
SCHEMBL10489592 0.77 NPC1 (0.57) KMT2AGSK3BSMN1; SMN2L3MBTL1HPGD

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-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed