SCHEMBL28115078

SCHEMBL28115078

O=C(OCOc1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.65
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
USP2 O75604 1/20 0.65
GLA P06280 1/20 0.56
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
AGTR1 P30556 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL27837743 0.88 LMNA (0.64) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL28115077 0.86 KMT2A (0.68) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL28115079 0.86 KMT2A (0.68) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL28115080 0.85 ALDH1A1 (0.59) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL1134809 0.84 KMT2A (0.65) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL11034191 0.82 LMNA (0.57) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL9717156 0.81 KMT2A (0.72) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL11000850 0.80 L3MBTL1 (0.58) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL11003785 0.80 SMN1; SMN2 (0.57) LMNAKMT2AALDH1A1MEN1USP2
SCHEMBL11001054 0.80 LMNA (0.60) LMNAKMT2AALDH1A1MEN1USP2

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
CN-106146490-A 5-hydroxyl-1,7-naphthyridine compounds, its preparation method and the pharmaceutical applications thereof replaced by aryloxy group or heteroaryloxy 沈阳三生制药有限责任公司 2016-11-23 CN disclosed