SCHEMBL8700515

SCHEMBL8700515

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
MAPK1 P28482 2/20 0.47
RBP4 P02753 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PHGDH O43175 1/20 0.46
PANK3 Q9H999 1/20 0.46
PKM P14618 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
GAA P10253 1/20 0.45
CCKAR P32238 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
SCHEMBL8699977 0.92 MAPT (0.48) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL8699044 0.89 KDM4E (0.51) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL6966645 0.88 MAPT (0.60) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL8705827 0.88 LMNA (0.61) KDM4EALDH1A1KMT2AMAPTRAB9A
SCHEMBL9058218 0.87 PANK3 (0.62) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL6967897 0.87 KMT2A (0.49) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL6966961 0.85 RBP4 (0.46) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL6965687 0.85 RBP4 (0.57) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL8094380 0.84 RBP4 (0.46) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL6964018 0.84 KMT2A (0.47) KDM4EALDH1A1HSD17B10KMT2AMAPT

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