SCHEMBL6970932

SCHEMBL6970932

C[C@H]1CC(=N)N[C@@H]1CCNCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAN1B1 Q9UKM7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL6967701 1.00 KMT2A (0.41) KMT2AMAN1B1SMN1; SMN2MAOBALDH1A1
SCHEMBL6976107 0.83 MAN1B1 (0.39) KMT2AMAN1B1SMN1; SMN2MAOBALDH1A1
SCHEMBL6976492 0.83 MAN1B1 (0.39) KMT2AMAN1B1SMN1; SMN2MAOBALDH1A1
SCHEMBL6969440 0.79 MEN1 (0.43) KMT2AMEN1MAPT
SCHEMBL11922708 0.66 KMT2A (0.59) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL1678642 0.66 HPGD (0.59) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19
SCHEMBL3159042 0.65 LMNA (0.68) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19
SCHEMBL10962630 0.65 MAOB (0.59) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19
SCHEMBL2716888 0.64 MAOB (0.63) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL6122085 0.64 KMT2A (0.69) KMT2ASMN1; SMN2MAOBALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed