SCHEMBL20080799

SCHEMBL20080799

CCOC(=O)c1cc(P)cc(NC(=O)c2cccnc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.50
RAB9A P51151 3/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.46
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2484277 0.88 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL18314216 0.87 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2490668 0.86 RAB9A (0.67) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2417590 0.84 NPC1 (0.65) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL16245499 0.82 NPC1 (0.50) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL1815768 0.76 MEN1 (0.62) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL28350930 0.76 TP53 (0.63) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL49913 0.75 POLB (0.66) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL28455181 0.73 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL3584951 0.73 POLB (0.64) ALDH1A1KMT2AMEN1TSHRPOLB

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-3312177-A2 TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Jeil Pharmaceutical Co., Ltd. (KR) 2018-04-25 EP disclosed