SCHEMBL28109238

SCHEMBL28109238

Nc1cc(COC=O)cnc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PIN1 Q13526 1/20 0.31
▸ TDP1 Q9NUW8 4/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 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
SCHEMBL28108882 0.78 — —
SCHEMBL28018377 0.77 PIN1 (0.40) MAPTLMNANPC1RAB9APIN1
SCHEMBL10265983 0.76 GPR35 (0.35) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL16564138 0.70 MAPT (0.44) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8562235 0.70 TDP1 (0.48) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL27770905 0.70 HDAC1 (0.31) LMNAPOLB
SCHEMBL28874590 0.67 PDE7A (0.37) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7005138 0.67 CYP19A1 (0.45) ALDH1A1LMNAPOLBCYP3A4TSHR
SCHEMBL711811 0.67 MAPT (0.37) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL899057 0.67 MAPT (0.41) MAPTALDH1A1TDP1MEN1POLB

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
CN-106459060-B Condensed triazole derivative as phosphodiesterase 10 A inhibitor 赛隆制药股份公司 2019-04-05 — — CN disclosed
CN-106459060-A Fused triazole derivatives as phosphodiesterase 10A inhibitors 赛隆制药股份公司 2017-02-22 — — CN disclosed
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