SCHEMBL8699401

SCHEMBL8699401

CCc1cc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c(OC)nc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TP53 P04637 3/20 0.49
RBP4 P02753 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PHGDH O43175 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
DGAT1 O75907 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL8699931 0.90 RBP4 (0.52) MAPTTP53RBP4KMT2AGAA
SCHEMBL8700453 0.88 RBP4 (0.56) MAPTTP53RBP4KMT2AGAA
SCHEMBL8704891 0.88 MAPT (0.53) MAPTTP53RBP4ALDH1A1LMNA
SCHEMBL8699435 0.88 RBP4 (0.49) MAPTTP53RBP4KMT2AGAA
SCHEMBL8703929 0.86 RBP4 (0.47) MAPTTP53RBP4KMT2AGAA
SCHEMBL8705216 0.85 RBP4 (0.49) MAPTTP53RBP4KMT2AGAA
SCHEMBL8703304 0.85 MAPT (0.55) MAPTTP53RBP4KMT2AGAA
SCHEMBL8699306 0.85 MAPT (0.42) MAPTTP53RBP4KMT2AGAA
SCHEMBL8703466 0.85 MAPT (0.48) MAPTTP53RBP4KMT2AGAA
SCHEMBL8705260 0.84 RBP4 (0.55) MAPTRBP4KMT2AGAAPHGDH

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed