SCHEMBL3973213

SCHEMBL3973213

COc1cc2c(c(Br)c1OC)CN(CCN1CCCC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC29A1 Q99808 2/20 0.38
ABCC4 O15439 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN1A P35498 1/20 0.38
THPO P40225 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 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
SCHEMBL3974894 0.99 HTR2A (0.44) HTR2ASMN1; SMN2POLBMEN1LMNA
SCHEMBL4084541 0.91 SYK (0.45) SMN1; SMN2LMNACYP2D6TSHRMAPK1
SCHEMBL4081651 0.85 LMNA (0.46) LMNACYP2D6CYP2C9TSHRMAPK1
SCHEMBL3973494 0.84 IDH1 (0.39) SMN1; SMN2POLBMEN1KMT2ACYP3A4
SCHEMBL3972272 0.82 CA1 (0.38)
SCHEMBL3973824 0.81 HTR2A (0.36) HTR2ASMN1; SMN2KDRDRD2
SCHEMBL3979633 0.81 POLB (0.43) SMN1; SMN2POLBMEN1KMT2ADRD2
SCHEMBL3971360 0.80 ALDH1A1 (0.43) MEN1KMT2ACYP3A4CYP2D6THPO
SCHEMBL3973796 0.80 HSD17B10 (0.46) SMN1; SMN2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3973411 0.79 CNR2 (0.45) KCNH2

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
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed