SCHEMBL6959375

SCHEMBL6959375

COc1nc(C)c(C(C)(C)O)cc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
PHGDH O43175 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6964108 0.91 KMT2A (0.45) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6964725 0.90 KMT2A (0.37) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6963524 0.86 KMT2A (0.43) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6956284 0.83 RBP4 (0.43) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6965802 0.83 KMT2A (0.41) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6960822 0.83 KMT2A (0.42) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL8088095 0.82 KMT2A (0.40) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6960191 0.82 UCHL3 (0.41) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL8088126 0.82 KMT2A (0.43) RBP4KMT2AGAALMNAHSD17B10
SCHEMBL6960387 0.82 KMT2A (0.39) RBP4KMT2AGAALMNAHSD17B10

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