SCHEMBL8094518

SCHEMBL8094518

CC(C)(C)c1cc(C2CNC(=O)N2C(=O)c2ccc(NC(=N)c3cccs3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 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
SCHEMBL8094532 0.79 ENPP3 (0.36) ALOX5PTGS1PTGS2GAA
SCHEMBL4325264 0.76 ALOX5 (0.42) ALOX5PTGS1PTGS2LMNATP53
SCHEMBL8104050 0.75 SMN1; SMN2 (0.44) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL4312653 0.75 ALOX5 (0.58) ALOX5PTGS1PTGS2LMNATP53
Iodide SCHEMBL4317223 0.75 ALOX5 (0.41) ALOX5PTGS1PTGS2LMNATP53
Hydrochloric Acid SCHEMBL4313293 0.74 ALOX5 (0.56) ALOX5PTGS1PTGS2LMNATP53
SCHEMBL4315399 0.72 KMT2A (0.59) LMNAPOLBMAPTRAB9ASMN1; SMN2
SCHEMBL4395128 0.72 ALOX5 (0.54) ALOX5PTGS1PTGS2LMNATP53
Hydrochloric Acid SCHEMBL4320219 0.72 KMT2A (0.58) LMNAPOLBMAPTRAB9ASMN1; SMN2
SCHEMBL4309852 0.72 GFER (0.50) LMNAPOLBKMT2AHTTALDH1A1

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
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP claimed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO claimed
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO disclosed