SCHEMBL14747899

SCHEMBL14747899

Cc1ccc(N2CCC(CO)CC2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
BRD4 O60885 1/20 0.42
CDK1 P06493 1/20 0.40
MAP2K7 O14733 1/20 0.39
RORC P51449 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
PRKDC P78527 1/20 0.36
PTGER4 P35408 1/20 0.36
LGMN Q99538 1/20 0.36
GFER P55789 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GAA P10253 2/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL2935120 0.91 MAPT (0.42) ADRB1BRD4CDK1MAPTALDH1A1
SCHEMBL2939391 0.82 MAPT (0.41) CDK1MAPTALDH1A1ALOX15MAPK1
SCHEMBL1912064 0.81 SUV39H2 (0.47) ADRB1BRD4SUV39H2MAPTALDH1A1
SCHEMBL24670695 0.80 ADRB1 (0.41) ADRB1BRD4MAP2K7RORCSUV39H2
SCHEMBL30066216 0.80 ADRB1 (0.41) ADRB1BRD4MAP2K7RORCSUV39H2
SCHEMBL24206625 0.80 GAA (0.57) ADRB1BRD4CDK1MAP2K7RORC
SCHEMBL2940683 0.80 MAPT (0.46) MAPTALDH1A1ALOX15MAPK1GFER
SCHEMBL14747886 0.79 LIPG (0.38) ADRB1CDK1MAPTALDH1A1MAPK1
SCHEMBL10642901 0.78 ADRB1 (0.53) ADRB1BRD4RORCMAPTALDH1A1
SCHEMBL1599743 0.78 ALDH1A1 (0.49) ADRB1MAPTALDH1A1ALOX15MAPK1

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-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed