SCHEMBL23035237

SCHEMBL23035237

CSc1ccc(NC(=N)N=C(N)N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TNF P01375 1/20 0.43
FPR2 P25090 2/20 0.42
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36

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
Hydrochloric Acid SCHEMBL23035330 0.99 MEN1 (0.44) KMT2AMEN1TNFFPR2IDO1
SCHEMBL23922669 0.85 FPR2 (0.38) KMT2AMEN1TNFFPR2IDO1
Hydrochloric Acid SCHEMBL28489200 0.84 FPR2 (0.37) KMT2AMEN1TNFFPR2IDO1
SCHEMBL16679474 0.81 RAB9A (0.38) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL23035197 0.81 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL23035339 0.81 LMNA (0.54) KMT2AMEN1ALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL23035322 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL16679379 0.80 RAB9A (0.52) KMT2AMEN1ALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL23035307 0.80 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL23035297 0.80 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1RAB9ANPC1

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
EP-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 EP claimed
EP-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 EP disclosed