SCHEMBL2791503

SCHEMBL2791503

Cc1c(C2CCCN(C(=O)O)C2)[nH]c2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE2A O00408 3/20 0.38
BTK Q06187 4/20 0.37
HRH4 Q9H3N8 3/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL7901095 0.86 HPGDS (0.46) PROKR1KDM4E
SCHEMBL2789127 0.81 PROKR1 (0.60) PROKR1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL23704300 0.70 PROKR1 (0.45) PROKR1SMN1; SMN2PDE2ARAB9AKMT2A
SCHEMBL26837306 0.70 MAPK10 (0.36) KDM4EKMT2A
SCHEMBL2789761 0.69 PROKR1 (0.43) PROKR1NPSR1BTKKMT2A
SCHEMBL7893351 0.67 PROKR1 (0.55) PROKR1
SCHEMBL4090402 0.67 MCL1 (0.62) GAAKDM4EALDH1A1TSHRHTT
SCHEMBL4754555 0.67 PROKR1 (0.48) PROKR1PDE2A
SCHEMBL3312540 0.66 ALDH1A1 (0.62) PROKR1ALDH1A1LMNATP53TSHR
SCHEMBL2791157 0.65 TRPV3 (0.43) ALDH1A1BTKKMT2A

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed