SCHEMBL7922602

SCHEMBL7922602

O=C(OCCl)c1ccc(Cc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX5 P09917 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL7919566 0.81 LMNA (0.41) MAPTALDH1A1MAPK1POLBNPSR1
SCHEMBL7841868 0.81 MAPK1 (0.54) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL7483341 0.80 MAPT (0.46) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL11843509 0.79 KMT2A (0.59) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL8002481 0.78 SRD5A2 (0.49) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL7840421 0.77 CYP1A2 (0.51) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL23748867 0.75 KMT2A (0.52) TDP1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7480367 0.74 ALDH1A1 (0.50) TDP1MAPTALDH1A1MAPK1HTT
SCHEMBL8005114 0.74 MAPT (0.44) TDP1MAPTALDH1A1MAPK1POLB
SCHEMBL8002334 0.74 VCAM1 (0.49) MAPTALDH1A1POLBKMT2AMEN1

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
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed