SCHEMBL7829031

SCHEMBL7829031

CC(=O)Nc1nc(-c2c(C)oc3c([N+](=O)[O-])cccc23)cs1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL7823943 0.83 ABL1 (0.47) RAB9AMEN1KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7826946 0.81 MEN1 (0.43) RAB9AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL7831458 0.77 LMNA (0.46) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7828023 0.75 GPR35 (0.47) RAB9AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3824030 0.71 RAB9A (0.62) RAB9AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL15689083 0.69 RAB9A (0.73) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8342857 0.69 GAA (0.50) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL9621679 0.68 RAB9A (1.00) RAB9AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL18424368 0.68 ABL1 (0.67) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3933787 0.67 MEN1 (0.50) RAB9AMEN1KMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 — — EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 — — WO disclosed
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