SCHEMBL6974653

SCHEMBL6974653

N=C(Nc1ccc(C(=O)NNC(N)=O)cc1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 6/20 0.53
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.50
GAA P10253 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL27355027 0.86 KMT2A (0.63) KMT2AL3MBTL1CYP2C19RAB9ANPC1
Iodide SCHEMBL6961523 0.85 KMT2A (0.61) KMT2AL3MBTL1CYP2C19RAB9ANPC1
SCHEMBL6958482 0.83 MEN1 (0.71) KMT2ARAB9ANPC1ALDH1A1TP53
SCHEMBL8572023 0.82 MEN1 (0.78) KMT2ARAB9ANPC1ALDH1A1TP53
SCHEMBL9037874 0.81 NPC1 (0.80) KMT2ARAB9ANPC1ALDH1A1TP53
Iodide SCHEMBL6957570 0.81 MEN1 (0.76) KMT2ARAB9ANPC1ALDH1A1TP53
SCHEMBL9048452 0.81 NPC1 (0.60) KMT2ARAB9ANPC1ALDH1A1TP53
Iodide SCHEMBL6957865 0.79 NPC1 (0.58) KMT2ARAB9ANPC1ALDH1A1TP53
SCHEMBL4313479 0.78 KMT2A (0.49) KMT2AL3MBTL1CYP2C19RAB9ANPC1
SCHEMBL4409789 0.78 NPC1 (0.53) KMT2AL3MBTL1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973763-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-05-28 EP claimed
EP-0973763-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (S.C.R.A.S.) (FR) 2000-01-26 EP claimed
WO-1998042696-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-10-01 WO claimed
EP-0973763-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (S.C.R.A.S.) (FR) 2000-01-26 EP disclosed
WO-1998042696-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-10-01 WO disclosed