SCHEMBL8699435

SCHEMBL8699435

CCc1cc(NC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c(OC)nc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.49
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
P2RY12 Q9H244 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PHGDH O43175 2/20 0.41
PDGFRB P09619 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6956284 0.91 RBP4 (0.43) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8700453 0.90 RBP4 (0.56) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8703804 0.90 KMT2A (0.46) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6960671 0.90 KMT2A (0.47) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8699306 0.89 MAPT (0.42) RBP4KMT2AGAAMAPTLMNA
SCHEMBL6651279 0.89 PHGDH (0.53) MAPTLMNAALDH1A1PHGDHKDM4E
SCHEMBL8702969 0.88 RBP4 (0.49) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8704045 0.88 RBP4 (0.45) RBP4KMT2AMAPTLMNATP53
SCHEMBL8699401 0.88 MAPT (0.49) RBP4KMT2AGAAMAPTLMNA
SCHEMBL8704931 0.88 RBP4 (0.57) RBP4KMT2AGAAMAPTLMNA

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