SCHEMBL7348784

SCHEMBL7348784

N=C(N)Nc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
PYGL P06737 4/20 0.48
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PLAU P00749 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
ACLY P53396 1/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL28779396 0.84 TDP1 (0.43) PYGLKDM4ENPC1RAB9AMAPT
SCHEMBL5783457 0.83 ALDH1A1 (0.53) SMN1; SMN2TSHRCASP1PYGLKDM4E
Hydrochloric Acid SCHEMBL28779394 0.83 TDP1 (0.42) PYGLKDM4ENPC1RAB9AMAPT
Bicarbonate SCHEMBL7359619 0.83 EPHX1 (0.61) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL19526332 0.81 KMT2A (0.59) SMN1; SMN2TSHRPYGLKDM4ERAB9A
SCHEMBL2745967 0.80 CYP1A2 (0.49) CASP1NPC1RAB9APOLBTDP1
SCHEMBL7978757 0.80 KLK1 (0.48) SMN1; SMN2PYGLNPC1RAB9APLAU
SCHEMBL17188149 0.80 EPHX1 (0.53) SMN1; SMN2TSHRCASP1PYGLKDM4E
SCHEMBL1304698 0.79 RORC (0.54) SMN1; SMN2TSHRCASP1KDM4ENPC1
SCHEMBL5777560 0.79 MAPT (0.73) SMN1; SMN2TSHRCASP1PYGLKDM4E

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
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 EP disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 US disclosed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 EP disclosed