SCHEMBL8699422

SCHEMBL8699422

COc1nc(C)c(C(C)C)cc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.57
GAA P10253 2/20 0.52
RBP4 P02753 2/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 4/20 0.49
SHMT2 P34897 1/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL8700254 0.88 GAA (0.56) PANK3GAARBP4KMT2AMAPT
SCHEMBL8700453 0.86 RBP4 (0.56) PANK3GAARBP4KMT2AMAPT
SCHEMBL8088095 0.85 KMT2A (0.40) PANK3GAARBP4KMT2AMAPT
SCHEMBL6953333 0.84 GAA (0.47) PANK3GAARBP4KMT2AMAPT
SCHEMBL6964825 0.83 RBP4 (0.45) PANK3GAARBP4KMT2AMAPT
SCHEMBL8699457 0.82 MAPT (0.56) GAARBP4KMT2AMAPTHTT
SCHEMBL6956179 0.82 GAA (0.58) PANK3GAARBP4KMT2AMAPT
SCHEMBL8704990 0.81 KMT2A (0.56) PANK3RBP4KMT2AMAPTHTT
SCHEMBL8703760 0.80 GAA (0.53) PANK3GAARBP4KMT2AMAPT
SCHEMBL6955682 0.80 KMT2A (0.45) GAARBP4KMT2AMAPTALDH1A1

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