SCHEMBL5616375

SCHEMBL5616375

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3ccco3)on2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 2/20 0.42

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
SCHEMBL4407836 0.89 NR1H4 (0.45) MAPTKMT2AALDH1A1KDM4EHTT
SCHEMBL5593328 0.89 RXFP1 (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5592971 0.87 RXFP1 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4414236 0.87 NAMPT (0.43) ALDH1A1KDM4EHSD17B10POLBSMN1; SMN2
SCHEMBL5592986 0.86 RXFP1 (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4551631 0.86 GRM4 (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL4417707 0.85 CYP3A4 (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4419761 0.83 CYP1A2 (0.49) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4411700 0.82 MEN1 (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4551944 0.80 NR1H4 (0.46) MAPTKMT2AMEN1HTTGAA

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed