SCHEMBL11084167

SCHEMBL11084167

N#Cc1ccc(CN2NCC(=O)NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
CYP19A1 P11511 4/20 0.41
HTR2C P28335 1/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
DAO P14920 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL11081247 0.81 KMT2A (0.44) TSHRMEN1KMT2AALDH1A1
SCHEMBL11075283 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11082068 0.80 KMT2A (0.43) TSHRMEN1KMT2AALDH1A1
SCHEMBL11079756 0.76 KMT2A (0.47) TSHRCYP2D6SMN1; SMN2CYP1A2KMT2A
SCHEMBL20189376 0.75 USP2 (0.46) USP2CYP19A1HTR2CTSHRCYP2D6
SCHEMBL11085436 0.74 CYP19A1 (0.41) CYP19A1TSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL11089788 0.72 MAPT (0.51) HTR2CSMN1; SMN2CYP1A2MEN1CYP2C9
SCHEMBL7267266 0.69 GSK3A (0.63) USP2CYP19A1HTR2CSMN1; SMN2MEN1
SCHEMBL11079280 0.69 KMT2A (0.51) SMN1; SMN2CYP1A2MEN1KMT2ACYP3A4
SCHEMBL8136911 0.68 POLB (0.65) USP2CYP19A1HTR2CTSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426522-A ANTICOCCIDIAL ABIC LTD. (IL) 1984-01-17 US disclosed
EP-0058534-A2 Hexahydro-1,2,4-triazine-3,5-dione derivatives and their use as feed additives ABIC LTD. (IL) 1982-08-25 EP disclosed