SCHEMBL7877522

SCHEMBL7877522

CC(=N)Nc1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ F10 P00742 1/20 0.47
▸ PLG P00747 7/20 0.46
▸ KLKB1 P03952 5/20 0.46
▸ PLAU P00749 2/20 0.46
▸ PLAT P00750 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.45
▸ KLK1 P06870 6/20 0.44
▸ KLK6 Q92876 5/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ ABAT P80404 1/20 0.43

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
Bromide SCHEMBL7202745 0.82 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL5080879 0.81 LOXL2 (0.49) LOXL2NOS3NOS1NOS2
SCHEMBL10668382 0.81 SRC (0.52) PLGKLKB1PLAUPLATPRSS1
SCHEMBL10668375 0.81 TSHR (0.38) —
SCHEMBL327252 0.81 LOXL2 (0.54) LOXL2F10PLGKLKB1PLAU
Hydrochloric Acid SCHEMBL7875006 0.80 LOXL2 (0.47) LOXL2NOS3NOS1NOS2
SCHEMBL14445095 0.79 TSHR (0.37) PLGKLKB1PLAUPLATPRSS1
SCHEMBL1146000 0.79 SMN1; SMN2 (0.59) SMYD3
Hydrochloric Acid SCHEMBL7443406 0.79 LOXL2 (0.52) LOXL2F10PLGKLKB1PLAU
SCHEMBL17244567 0.79 SMYD3 (0.45) LOXL2PLGKLKB1PLAUSMYD3

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-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
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