SCHEMBL11833128

SCHEMBL11833128

CCOC(=O)N1CCN(c2nc(OC)c([N+](=O)[O-])c(N3CCSCC3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GPR174 Q9BXC1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL11826962 0.87 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11824655 0.76 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11822505 0.76 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11823112 0.75 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL11824715 0.75 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL11828426 0.75 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11828195 0.74 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4233300 0.73 MAPT (0.53) MAPTALDH1A1LMNA
SCHEMBL11822386 0.73 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11848865 0.72 MEN1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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
US-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 — — US disclosed
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