SCHEMBL7917042

SCHEMBL7917042

NNc1ccc(Cc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.37
IDO1 P14902 3/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MPO P05164 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11722438 0.79 IDO1 (0.56) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL7836753 0.79 HSP90AB1 (0.39) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL1149063 0.77 MAPT (0.49) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL28114141 0.76 PNMT (0.45) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL7919710 0.72 TAAR1 (0.36) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL7843 0.70
SCHEMBL8684287 0.69 MEN1 (0.62) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL8684282 0.69 IDO1 (0.48) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL6282006 0.69 SMN1; SMN2 (0.52) MAPTSMN1; SMN2HTTKDM4EGAA
SCHEMBL22080375 0.69 MEN1 (0.46) MAPTSMN1; SMN2HTTMEN1KMT2A

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