SCHEMBL6958779

SCHEMBL6958779

Cc1nc2ccccc2cc1NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
HCAR2 Q8TDS4 3/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ERG P11308 1/20 0.46
SMO Q99835 1/20 0.46
FAAH O00519 3/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43
PANK3 Q9H999 1/20 0.43

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
SCHEMBL6961546 0.90 KDM4E (0.48) RBP4KDM4EALDH1A1HSD17B10POLB
SCHEMBL6962010 0.88 RBP4 (0.57) RBP4KDM4EALDH1A1HCAR2GAA
SCHEMBL6956583 0.87 KMT2A (0.53) RBP4KDM4EALDH1A1HSD17B10POLB
SCHEMBL6961537 0.86 RBP4 (0.54) RBP4KDM4EALDH1A1HSD17B10POLB
SCHEMBL6961396 0.81 PANK3 (0.63) KDM4EALDH1A1HSD17B10POLBHCAR2
SCHEMBL6960999 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10POLBHCAR2
SCHEMBL6952726 0.81 MAPT (0.55) KDM4EALDH1A1POLBGAAKMT2A
SCHEMBL6963652 0.80 HCAR2 (0.44) RBP4KDM4EALDH1A1HSD17B10POLB
SCHEMBL6963644 0.80 KMT2A (0.48) RBP4ALDH1A1HCAR2KMT2AMAPT
SCHEMBL6963523 0.80 MAPT (0.60) RBP4KDM4EALDH1A1HSD17B10GAA

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
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed