SCHEMBL16634651

SCHEMBL16634651

O=C(O)c1ccc(-n2c(=O)[nH]c3cc(COC4CCCCO4)ccc32)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.42
EP300 Q09472 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP1 P09874 3/20 0.37
TNK1 Q13470 3/20 0.37
TNK2 Q07912 2/20 0.37
RORC P51449 2/20 0.36
AURKA O14965 1/20 0.36
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 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
SCHEMBL16634668 0.88 KMT2A (0.45) CREBBPEP300MEN1KMT2ARORC
SCHEMBL3811958 0.73 KMT2A (0.64) CREBBPEP300MEN1KMT2AALDH1A1
SCHEMBL16634747 0.73 CREBBP (0.46) CREBBPEP300MEN1KMT2ARORC
SCHEMBL16634626 0.70 HSP90AA1 (0.54) PARP1RORCAURKASMN1; SMN2KDM4E
SCHEMBL4505041 0.70 MEN1 (0.54) CREBBPEP300MEN1KMT2AALDH1A1
SCHEMBL16634625 0.70 HCAR3 (0.52) CREBBPEP300MEN1KMT2AALDH1A1
SCHEMBL16634623 0.70 HCAR3 (0.52) CREBBPEP300MEN1KMT2AALDH1A1
SCHEMBL2881940 0.70 MEN1 (0.44) CREBBPEP300MEN1KMT2ASMN1; SMN2
SCHEMBL16634859 0.69 AURKA (0.44) MEN1KMT2AAURKASMN1; SMN2KDM4E
SCHEMBL20847149 0.69 HPGD (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E

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