SCHEMBL10956570

SCHEMBL10956570

N=C(N)Nc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRSS1 P07477 6/20 0.56
ACR P10323 3/20 0.56
PARP10 Q53GL7 1/20 0.53
F2 P00734 4/20 0.51
PRSS2 P07478 4/20 0.51
PRSS3 P35030 4/20 0.51
HGFAC Q04756 2/20 0.49
TMPRSS6 Q8IU80 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL11316711 0.95 PARP10 (0.61) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL11569991 0.94 KMT2A (0.54) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL7328271 0.94 ACR (0.58) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL3675089 0.92 KMT2A (0.69) KMT2AMEN1SMN1; SMN2PRSS1ACR
Hydrochloric Acid SCHEMBL7330789 0.92 ACR (0.59) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL4104661 0.92 KMT2A (0.59) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL10309162 0.92 KMT2A (0.63) KMT2AMEN1SMN1; SMN2PRSS1ACR
Hydrochloric Acid SCHEMBL7321119 0.91 PRSS1 (0.70) KMT2AMEN1SMN1; SMN2PRSS1ACR
Hydrochloric Acid SCHEMBL29825181 0.91 KMT2A (0.57) KMT2AMEN1SMN1; SMN2PRSS1ACR
SCHEMBL9689823 0.90 EPHX2 (0.56) KMT2AMEN1SMN1; SMN2PRSS1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024779-B1 DRUGS FOR USE WITH INTRAUTERINE DEVICES AND INTRAUTERINE DEVICES CONTAINING SAID DRUGS Shaw, Seth Thomas, Jr. (US) 1984-10-17 EP claimed
EP-0024780-B1 MEDICATED INTRAUTERINE DEVICES Shaw, Seth Thomas, Jr. (US) 1984-10-17 EP claimed
EP-0024781-B1 MEDICATED INTRAUTERINE DEVICES Shaw, Seth Thomas, Jr. (US) 1984-08-08 EP claimed
US-4381001-A A GUANIDINE IN POLYMER MATRIX; ANTIFERTILITY AGENTS AND ANTICOAGULANTS; SUSTAINED RELEASE SHAW JR SETH T (US) 1983-04-26 US claimed
EP-0024781-A1 Medicated intrauterine devices Shaw, Seth Thomas, Jr. (US) 1981-03-11 EP claimed
EP-0024780-A1 Medicated intrauterine devices Shaw, Seth Thomas, Jr. (US) 1981-03-11 EP claimed
EP-0024779-A1 Drugs for use with intrauterine devices and intrauterine devices containing said drugs Shaw, Seth Thomas, Jr. (US) 1981-03-11 EP claimed
US-4495934-A POLYMER MATRIX CONTAINING AMIDINE AND GAUANIDINE DRUG COATED WIT BIODEGRADABLE POLYMER SHAW JR SETH T (US) 1985-01-29 US disclosed
EP-0024781-B1 MEDICATED INTRAUTERINE DEVICES Shaw, Seth Thomas, Jr. (US) 1984-08-08 EP disclosed
US-4381001-A A GUANIDINE IN POLYMER MATRIX; ANTIFERTILITY AGENTS AND ANTICOAGULANTS; SUSTAINED RELEASE SHAW JR SETH T (US) 1983-04-26 US disclosed
US-4359046-A IUD Arrangement SHAW JR SETH T 1982-11-16 US disclosed
US-4284074-A CONTAINING ANTIFIBRINOLYTIC, ANTIPROTEOLYTIC, ANTIFERTILITY GUANIDINE; INTRAUTERINE DEVICE SHAW JR SETH T 1981-08-18 US disclosed