SCHEMBL7822643

SCHEMBL7822643

COC(=O)c1cccc(-n2c(C#N)ccc2CN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
PDGFRB P09619 2/20 0.43
KDR P35968 2/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 1/20 0.40
TDP2 O95551 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PMM2 O15305 1/20 0.38
MPI P34949 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
SCHEMBL7828490 0.81 ALDH1A1 (0.55) ALDH1A1TP53MAPTKDM4EMEN1
SCHEMBL7825574 0.75 PDGFRB (0.52) ALDH1A1TP53MAPTKDM4EPDGFRB
SCHEMBL6166266 0.74 TP53 (0.52) ALDH1A1TP53MAPTGAAHPGD
SCHEMBL7826960 0.72 TP53 (0.48) ALDH1A1TP53MAPTCYP11B1CYP11B2
SCHEMBL165622 0.69 LOXL2 (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7826732 0.68 ALDH1A1 (0.57) ALDH1A1TP53MAPTMEN1PKM
SCHEMBL7822502 0.66 TP53 (0.47) ALDH1A1TP53MAPTCYP11B1CYP11B2
SCHEMBL60040 0.66 MRGPRX4 (0.56) TP53CYP11B1CYP11B2LOXL2RAB9A
SCHEMBL30444713 0.66 MRGPRX4 (0.56) TP53CYP11B1CYP11B2LOXL2RAB9A
SCHEMBL28752522 0.65 GAA (0.62) ALDH1A1TP53MAPTMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed