SCHEMBL6968075

SCHEMBL6968075

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2c(C)c(C)cc(C)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 1/20 0.39
PI4KB Q9UBF8 3/20 0.38
THRB P10828 1/20 0.38
RBP4 P02753 3/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL6962599 0.89 KMT2A (0.39) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL6781975 0.86 MAPT (0.41) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL6963524 0.84 KMT2A (0.43) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL8702969 0.83 RBP4 (0.49) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL6954279 0.83 KMT2A (0.49) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL6652808 0.83 RBP4 (0.57) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL8705827 0.83 LMNA (0.61) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL8705667 0.82 MAPT (0.49) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL8699252 0.82 MAPT (0.44) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL8701091 0.81 THRB (0.55) KMT2ATSHRLMNAMAPTTHRB

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