SCHEMBL7865712

SCHEMBL7865712

CC(=N)Nc1cccc(C(=N)N)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.51
▸ PRSS1 P07477 6/20 0.49
▸ PRSS2 P07478 4/20 0.49
▸ PRSS3 P35030 4/20 0.49
▸ F2 P00734 2/20 0.48
▸ PLG P00747 2/20 0.48
▸ C1S P09871 1/20 0.48
▸ PLAU P00749 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1436168 0.86 ALDH1A1 (0.59) MEN1KMT2AALDH1A1
SCHEMBL7875123 0.86 PARP1 (0.60) MEN1KMT2AALDH1A1
SCHEMBL10671451 0.85 PRSS1 (0.52) NOS1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL3576551 0.84 ALDH1A1 (0.57) PLAUMEN1KMT2AALDH1A1
SCHEMBL7877536 0.83 KMT2A (0.66) MEN1KMT2AALDH1A1
SCHEMBL7865767 0.82 POLB (0.47) MEN1KMT2AALDH1A1
SCHEMBL12348392 0.82 MEN1 (0.59) PRSS1PRSS2PRSS3F2PLAU
SCHEMBL14169114 0.82 TDP1 (0.46) NOS1PRSS1PRSS2PRSS3F2
Amicarbalide SCHEMBL1818799 0.81 PLAU (0.65) PRSS1PRSS2PRSS3F2PLG
SCHEMBL10177622 0.81 PRSS1 (0.52) NOS1PRSS1PRSS2PRSS3F2

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 — — US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 — — US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 — — EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 — — WO disclosed
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