SCHEMBL7917032

SCHEMBL7917032

Cc1cc(N2N=CCNC2=O)cc(Cl)c1Cc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PKM P14618 1/20 0.32
PSD A5PKW4 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR2 P41597 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL7838791 0.92 ALDH1A1 (0.35) ENPP2ALKBH3KDM4EALDH1A1PDE3B
SCHEMBL7470125 0.84 VNN1 (0.34) ALDH1A1PKMNPC1HTT
SCHEMBL8002517 0.84 TP53 (0.34) KDM4EALDH1A1PTGS2KMT2ASMN1; SMN2
SCHEMBL7990341 0.84 ALDH1A1 (0.33) ALDH1A1PKMCCR2DAO
SCHEMBL8002248 0.83 TDP1 (0.34) KMT2ASMN1; SMN2MEN1MAPTTDP1
SCHEMBL7480508 0.82 TYMP (0.35) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL7999021 0.82
SCHEMBL7990242 0.81 PRKAB2 (0.33)
SCHEMBL7839566 0.81 KMT2A (0.39) POLBKMT2ALMNAMEN1MAPT
SCHEMBL8001979 0.81 SRD5A2 (0.40) BRD4KDM4EALDH1A1POLBKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP claimed
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