SCHEMBL9026948

SCHEMBL9026948

COC(=O)c1nc(OCc2ccccc2)c(CC(C)C)[n+]([O-])c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RNASEH1 O60930 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CNR1 P21554 1/20 0.36
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MMP2 P08253 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL9027006 0.93 ALDH1A1 (0.38) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL27258448 0.92 LMNA (0.39) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL9026029 0.86 ALDH1A1 (0.40) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL9026401 0.82 SMN1; SMN2 (0.39) LMNAHPGDMMP2L3MBTL1KDM4E
SCHEMBL9026581 0.81 ALDH1A1 (0.37) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL9026486 0.81 ALDH1A1 (0.36) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL9026358 0.80 NR4A2 (0.39) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL9026201 0.80 LMNA (0.38) LMNAHPGDALDH1A1TSHRMAPK1
SCHEMBL9026706 0.78 RAB9A (0.39) LMNAHPGDALDH1A1TSHRHSD17B10
SCHEMBL9026857 0.78 MAPK1 (0.37) LMNAHPGDALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed