SCHEMBL7990339

SCHEMBL7990339

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
NAPRT Q6XQN6 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL8002248 0.94 TDP1 (0.34) PARP1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL7999106 0.90 CCR9 (0.33) MEN1KMT2AVNN1
SCHEMBL8005711 0.89 PARP1 (0.32) PARP1KCNQ3KCNQ2
SCHEMBL7999035 0.89 KMT2A (0.34) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL7470125 0.89 VNN1 (0.34) VNN1
SCHEMBL8000233 0.88 KDM4A (0.32)
SCHEMBL8002345 0.88 AR (0.30)
SCHEMBL8002360 0.88 DAO (0.32)
SCHEMBL8002706 0.88 LSS (0.34) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8001979 0.87 SRD5A2 (0.40) PARP1MEN1KMT2AMAPTSMN1; SMN2

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-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US claimed
JP-11152277-A None JP disclosed
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed
JP-H11152277-A TRIAZINE DERIVATIVE, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1999-06-08 JP disclosed