SCHEMBL7838560

SCHEMBL7838560

CC(=O)c1ccc(Cc2c(Cl)cc(N)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.46
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CREBBP Q92793 1/20 0.40
PRKCI P41743 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHFR P00374 1/20 0.36
MEN1 O00255 2/20 0.36
PYCR1 P32322 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL27459498 0.86 KMT2A (0.55) KMT2ALMNATSHRMAOBMAOA
SCHEMBL8001938 0.83 SRD5A2 (0.54) LMNAMAPTNPC1RAB9AALDH1A1
SCHEMBL7484185 0.83 SRD5A2 (0.44) KMT2ALMNAMAPTRAB9AMEN1
SCHEMBL7841868 0.79 MAPK1 (0.54) KMT2ALMNAMAOBMAOAMAPT
SCHEMBL7919566 0.79 LMNA (0.41) KMT2ALMNATSHRMAOAMAPT
SCHEMBL7829968 0.77 HSP90AB1 (0.46) KMT2ATSHRMAPTNPC1RAB9A
SCHEMBL8000191 0.77 CCR9 (0.39) KMT2ATSHRKDM4E
SCHEMBL7990297 0.76 SRD5A2 (0.41) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL8002841 0.76 NAPRT (0.43) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL7998602 0.75 RECQL (0.36) NPC1RAB9AHSD17B10DHFRUSP2

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-0737672-B1 Method of producing triazine derivatives TAKEDA SCHERING PLOUGH ANIMAL (JP) 2001-10-04 EP disclosed
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-0737672-A2 Method of producing triazine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-16 EP disclosed