SCHEMBL8345544

SCHEMBL8345544

Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cc([N+](=O)[O-])cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
RORC P51449 3/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7823933 0.81 MAPT (0.48) MAPTSMN1; SMN2KMT2AALDH1A1RAB9A
SCHEMBL7816712 0.81 KMT2A (0.44) MAPTKMT2AL3MBTL1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7829506 0.81 RAB9A (0.44) MAPTSMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL7829184 0.80 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AALDH1A1RAB9A
SCHEMBL8339795 0.80 MAPK14 (0.43) MAPTSMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL7823672 0.80 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL7816214 0.79 RAB9A (0.43) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL7830415 0.78 POLB (0.41) RORCMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL7824577 0.76 MAPT (0.47) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL8345497 0.76 RAB9A (0.40) MAPTSMN1; SMN2KMT2AL3MBTL1ALDH1A1

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
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