SCHEMBL91286

SCHEMBL91286

CCc1cc(CNCC(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.38
P4HB P07237 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
REN P00797 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 3/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL2635160 0.79 PRMT5 (0.37) POLBPLA2G1BATG4BNPSR1REN
SCHEMBL78001 0.77 PLA2G1B (0.40) POLBPLA2G1BATG4BCYP1A2CYP2D6
SCHEMBL2635157 0.76 EPHX2 (0.43) LMNAKDM4ECYP2D6CYP2C19ALOX15
SCHEMBL3085952 0.76 PLA2G1B (0.33) POLBPLA2G1BATG4BLMNAKDM4E
SCHEMBL2635159 0.76 HSD11B1 (0.37) POLBPLA2G1BATG4BLMNAKDM4E
SCHEMBL3790563 0.73 TRPA1 (0.43) LMNAKDM4ECYP1A2HTR2ASLC6A4
SCHEMBL13179975 0.72 L3MBTL1 (0.39) LMNAKDM4EP4HBNPSR1HTR2A
SCHEMBL3700658 0.72 GAA (0.61) KDM4ECYP2C9CYP2C19KCNH2SMN1; SMN2
SCHEMBL24258323 0.70 KMT2A (0.47) POLBNPSR1CYP3A4CYP1A2CYP2D6
SCHEMBL7080588 0.70 IDO1 (0.43) POLBLMNACYP3A4HTR2ASLC6A4

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed