SCHEMBL7998602

SCHEMBL7998602

Nc1cc(Cl)c(Cc2ccc(C(=O)c3ccnc(Cl)c3)cc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
LOX P28300 1/20 0.36
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MPO P05164 1/20 0.35
SRD5A2 P31213 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VNN1 O95497 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
FFAR1 O14842 1/20 0.34
DHODH Q02127 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8002841 0.83 NAPRT (0.43) NPC1RAB9ASMN1; SMN2VNN1ALDH1A1
SCHEMBL8001948 0.83 L3MBTL1 (0.44) SRD5A2SMN1; SMN2ALDH1A1POLB
SCHEMBL7484185 0.82 SRD5A2 (0.44) SRD5A2RAB9ASMN1; SMN2VNN1ALDH1A1
SCHEMBL8001938 0.80 SRD5A2 (0.54) SRD5A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7998751 0.80 VNN1 (0.42) SMN1; SMN2VNN1ALDH1A1POLB
SCHEMBL8000191 0.79 CCR9 (0.39) SRD5A2VNN1
SCHEMBL8000142 0.76 RAB9A (0.39) SRD5A2NPC1RAB9ASMN1; SMN2VNN1
SCHEMBL8002494 0.76 VNN1 (0.36) SRD5A2SMN1; SMN2VNN1DHFR
SCHEMBL7998535 0.76 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CTNNB1TCF7L2
SCHEMBL7998534 0.76 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CTNNB1TCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159302-C Triazine derivatives, their preparation and use ��������-���Ͷ��ﱣ����ʽ���� 2004-07-28 CN 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
CN-1263526-A Triazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-16 CN disclosed