SCHEMBL11618741

SCHEMBL11618741

Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(OC(=O)c2cc(F)ccn2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ LMNA P02545 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ CCR2 P41597 2/20 0.36

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
SCHEMBL11615866 0.81 PTGDR2 (0.45) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11616149 0.80 TP53 (0.42) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11615839 0.80 PTGDR2 (0.47) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11618423 0.78 PTGDR2 (0.44) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11618315 0.78 PTGDR2 (0.48) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11509760 0.78 GPR139 (0.34) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11610569 0.76 PTGDR2 (0.47) PTGDR2SMN1; SMN2POLBTP53MEN1
SCHEMBL11036231 0.73 PTGDR2 (0.44) PTGDR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11617121 0.71 PTGDR2 (0.40) PTGDR2SMN1; SMN2LMNATP53MEN1
SCHEMBL11617170 0.70 PTGDR2 (0.41) PTGDR2SMN1; SMN2LMNAALDH1A1HTT

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
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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