SCHEMBL8088095

SCHEMBL8088095

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RBP4 P02753 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
PHGDH O43175 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 2/20 0.38
P2RY12 Q9H244 1/20 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
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL6960387 0.93 KMT2A (0.39) KMT2AGAARBP4PHGDHMAPT
SCHEMBL6963524 0.87 KMT2A (0.43) KMT2AGAARBP4PHGDHMAPT
SCHEMBL6960777 0.85 RBP4 (0.36) KMT2AGAARBP4PHGDHMAPT
SCHEMBL8699422 0.85 PANK3 (0.57) KMT2AGAARBP4TRPV1MAPT
SCHEMBL6956284 0.84 RBP4 (0.43) KMT2AGAARBP4TRPV1PHGDH
SCHEMBL6960822 0.84 KMT2A (0.42) KMT2AGAARBP4PHGDHMAPT
SCHEMBL6965802 0.84 KMT2A (0.41) KMT2AGAARBP4PHGDHMAPT
SCHEMBL6964825 0.84 RBP4 (0.45) KMT2AGAARBP4TRPV1PHGDH
SCHEMBL6955682 0.84 KMT2A (0.45) KMT2AGAARBP4PHGDHMAPT
SCHEMBL6960191 0.83 UCHL3 (0.41) KMT2AGAARBP4PHGDHMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed