SCHEMBL16634668

SCHEMBL16634668

O=C(O)c1ccc(-n2c(=O)[nH]c3cc(COC4CCCCO4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CREBBP Q92793 2/20 0.44
EP300 Q09472 1/20 0.44
AURKA O14965 1/20 0.38
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
GAA P10253 4/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 4/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL16634651 0.88 CREBBP (0.42) KMT2AMEN1CREBBPEP300AURKA
SCHEMBL3811958 0.78 KMT2A (0.64) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL20847149 0.73 HPGD (0.41) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4505041 0.73 MEN1 (0.54) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL16634750 0.71 PARP1 (0.44) KMT2AMEN1AURKAALDH1A1KDM4E
SCHEMBL4309447 0.71 CREBBP (0.59) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL4683757 0.71 MEN1 (0.48) KMT2AMEN1CREBBPEP300ICAM1
SCHEMBL29746437 0.70 KMT2A (0.51) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL4325200 0.69 KMT2A (0.52) KMT2AMEN1CREBBPEP300ALDH1A1
SCHEMBL16634584 0.69 CREBBP (0.49) KMT2AMEN1CREBBPEP300ALDH1A1

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed