SCHEMBL28128797

SCHEMBL28128797

CN=C(NCCc1ccccc1)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 2/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL14868318 1.00 SCN5A (0.48) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL14868324 0.91 SCN5A (0.55) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
Nitric Acid SCHEMBL11800507 0.91 SCN5A (0.45) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
Nitric Acid SCHEMBL11800504 0.91 SCN5A (0.45) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL14868322 0.84 GRIN2D (0.46) SCN5ASCN2ASMN1; SMN2GAAIDO1
SCHEMBL14208732 0.84 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNATAAR1
SCHEMBL14208752 0.84 GRIN1 (0.47) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL14208814 0.84 GRIN2B (0.47) NPC1RAB9ASMN1; SMN2LMNATAAR1
SCHEMBL13684805 0.84 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNATAAR1
SCHEMBL13684857 0.84 GRIN2B (0.47) NPC1RAB9ASMN1; SMN2LMNATAAR1

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
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed