SCHEMBL16856424

SCHEMBL16856424

Oc1c(F)cccc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
IDO1 P14902 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
PLK1 P53350 1/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4351109 0.84 FFAR1 (0.51) KDM4EALDH1A1THRBMEN1MAPT
SCHEMBL4982611 0.83 HSD17B10 (0.59) HSD17B10IDO1KDM4EALDH1A1THRB
SCHEMBL4345895 0.82 BRD4 (0.43) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL4346825 0.82 MEN1 (0.62) KDM4EALDH1A1THRBMEN1MAPT
SCHEMBL11509875 0.81 MAPT (0.59) HSD17B10IDO1KDM4EALDH1A1THRB
SCHEMBL11511266 0.81 HSD17B10 (0.53) HSD17B10IDO1KDM4EALDH1A1THRB
SCHEMBL4354200 0.81 KMT2A (0.57) HSD17B10KDM4EALDH1A1THRBMEN1
SCHEMBL4351131 0.80 RXFP1 (0.54) MEN1KMT2AHDAC1HDAC6HPGD
SCHEMBL4355825 0.79 MAPT (0.60) KDM4EALDH1A1THRBMEN1MAPT
SCHEMBL112756 0.79 HSD17B10 (0.50) HSD17B10IDO1KDM4EALDH1A1THRB

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-2015095792-A1 CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed