SCHEMBL7910016

SCHEMBL7910016

O=C(c1ccc(Cl)cc1)c1ccc(N2N=CCNC2=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.43
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
CHEK2 O96017 1/20 0.36
HTT P42858 2/20 0.36
HPD P32754 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGES O14684 1/20 0.35
PTGS2 P35354 1/20 0.35
NR4A1 P22736 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7470125 0.82 VNN1 (0.34) SRD5A2HTTNPC1
SCHEMBL7919391 0.81 NPSR1 (0.38) MAPTRAB9AHTTHPDMEN1
SCHEMBL8002517 0.81 TP53 (0.34) SRD5A2MAPTRAB9AHTTHPD
SCHEMBL7998737 0.79 KLKB1 (0.36) SRD5A2MAPTRAB9AHTTHPD
SCHEMBL7917708 0.75 CHEK2 (0.35) CHEK2MEN1KMT2A
SCHEMBL8002706 0.74 LSS (0.34) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL7917047 0.73 CYP3A4 (0.31) MEN1KMT2A
SCHEMBL8002345 0.73 AR (0.30)
SCHEMBL7917515 0.72 GAA (0.39) MAPTMEN1KMT2ACYP2C9
SCHEMBL7990339 0.71 PARP1 (0.34) MAPTRAB9AMEN1KMT2AATM

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