SCHEMBL8701376

SCHEMBL8701376

CCc1cc(NC(=O)N2CCN(c3cc(OC)ccc3Cl)CC2)c(OC)nc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.48
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 8/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
MCL1 Q07820 1/20 0.45
MAPK1 P28482 3/20 0.43
P2RY12 Q9H244 2/20 0.43
PI4KB Q9UBF8 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8701048 0.91 THRB (0.47) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8700940 0.90 RBP4 (0.61) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8702748 0.88 RBP4 (0.45) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8705260 0.87 RBP4 (0.55) RBP4KMT2AGAAMAPTMAPK1
SCHEMBL8703304 0.85 MAPT (0.55) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6960671 0.84 KMT2A (0.47) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8703704 0.84 RBP4 (0.52) RBP4KMT2AMAPTALDH1A1TP53
SCHEMBL8699402 0.84 KMT2A (0.49) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8700393 0.83 RBP4 (0.58) RBP4KMT2AGAAMAPTLMNA
SCHEMBL9057828 0.83 MAPT (0.53) KMT2AGAAMAPTLMNAALDH1A1

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