SCHEMBL2170163

SCHEMBL2170163

CC(C)(C)NC(=O)OCc1cccn2cc(C(F)(F)F)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HDAC4 P56524 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HCRTR2 O43614 2/20 0.31
GUCY1B2 O75343 3/20 0.31
GUCY1A2 P33402 3/20 0.31
GUCY1A1 Q02108 3/20 0.31
GUCY1B1 Q02153 3/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2170778 0.81 FEN1 (0.36) SSTR4ALDH1A1HDAC4HCRTR2GUCY1B2
SCHEMBL2234006 0.76 GUCY1B2 (0.34) MEN1KMT2ASSTR4ALDH1A1GUCY1B2
SCHEMBL2317617 0.74 ALDH1A3 (0.33) ALDH1A1HDAC4PTGDR2TP53
SCHEMBL2170782 0.72 POLB (0.43) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL27872107 0.72 MAOB (0.50) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL4970466 0.71 SCN5A (0.32) ALDH1A1HDAC4TP53
SCHEMBL14836967 0.71 SDHB (0.43) MEN1KMT2AALDH1A1HCRTR2HPGD
SCHEMBL2315731 0.71 TSHR (0.45) ALDH1A1HCRTR2HPGDMAPTTP53
SCHEMBL27689604 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL2215750 0.68 PAX8 (0.35) ALDH1A1HDAC4HCRTR2POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed