SCHEMBL8699402

SCHEMBL8699402

CCc1cc(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c(OC)nc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
RBP4 P02753 4/20 0.48
P2RY12 Q9H244 5/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL8703804 0.91 KMT2A (0.46) KMT2AGAARBP4P2RY12LMNA
SCHEMBL8700940 0.90 RBP4 (0.61) KMT2AGAARBP4P2RY12LMNA
SCHEMBL8703286 0.90 MAPT (0.46) KMT2AGAAP2RY12LMNAALDH1A1
SCHEMBL8700453 0.87 RBP4 (0.56) KMT2AGAARBP4LMNAALDH1A1
SCHEMBL8704719 0.87 TSHR (0.42) KMT2AGAAP2RY12LMNAALDH1A1
SCHEMBL8705088 0.87 HSD17B10 (0.48) KMT2AGAARBP4P2RY12LMNA
SCHEMBL8705260 0.85 RBP4 (0.55) KMT2AGAARBP4P2RY12MAPT
SCHEMBL8699435 0.85 RBP4 (0.49) KMT2AGAARBP4P2RY12LMNA
SCHEMBL8704931 0.85 RBP4 (0.57) KMT2AGAARBP4LMNAALDH1A1
SCHEMBL6962599 0.85 KMT2A (0.39) KMT2AGAARBP4P2RY12LMNA

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