SCHEMBL16645348

SCHEMBL16645348

COC(=O)c1ccc(N(O)c2ccc(COC3CCCCO3)cc2N)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.38
CFTR P13569 1/20 0.37
EP300 Q09472 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERAP2 Q6P179 1/20 0.33

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
SCHEMBL3809200 0.77 KMT2A (0.48) CREBBPEP300ICAM1SELEMEN1
SCHEMBL16645316 0.77 CREBBP (0.44) CREBBPCFTREP300ICAM1SELE
SCHEMBL4490282 0.76 PPM1D (0.49) CREBBPEP300KDM4EALDH1A1HPGD
SCHEMBL16077650 0.76 CREBBP (0.46) CREBBPCFTREP300ICAM1SELE
SCHEMBL16634747 0.75 CREBBP (0.46) CREBBPEP300ICAM1SELEMEN1
SCHEMBL2526406 0.73 CREBBP (0.48) CREBBPCFTREP300ICAM1SELE
SCHEMBL3078260 0.72 ICAM1 (0.40) CREBBPEP300ICAM1SELEMEN1
SCHEMBL23662658 0.71 CREBBP (0.42) CREBBPCFTREP300ICAM1SELE
SCHEMBL29790975 0.71 CREBBP (0.42) CREBBPCFTREP300ICAM1SELE
SCHEMBL2881940 0.71 MEN1 (0.44) CREBBPEP300ICAM1SELEMEN1

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