SCHEMBL9629014

SCHEMBL9629014

Cc1cccc(-n2c(=O)c3c(c4cccnc42)OCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR4 O95977 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
S1PR1 P21453 1/20 0.40
PDE4B Q07343 5/20 0.39
PDE4D Q08499 5/20 0.39
PDE4A P27815 5/20 0.38
PDE4C Q08493 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
FEN1 P39748 1/20 0.37
PSD A5PKW4 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9629146 0.88 MAPT (0.49) HPGDALDH1A1KDM4EGAAPDE4B
SCHEMBL9629742 0.87 CYP2C19 (0.47) HPGDALDH1A1PDE4BPDE4DPDE4A
SCHEMBL10377092 0.87 EPHB4 (0.48) POLBPDE4BPDE4DL3MBTL1CYP1A2
SCHEMBL10422443 0.86 PDE4B (0.42) HPGDPDE4BPDE4DPDE4APDE4C
SCHEMBL9630002 0.86 FEN1 (0.50) ALDH1A1KDM4EPDE4BPDE4DPDE4A
SCHEMBL10659551 0.85 EPHB4 (0.38) PDE4BPDE4DPDE4APDE4CFEN1
SCHEMBL10661052 0.84 PDE4A (0.36) HPGDALDH1A1PDE4BPDE4DPDE4A
SCHEMBL9629666 0.83 MAPT (0.40) HPGDALDH1A1KDM4EPDE4BPDE4D
SCHEMBL9629733 0.83 MET (0.39) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL9630934 0.82 KAT2B (0.45) HPGDALDH1A1KDM4EGAAPDE4B

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
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed