SCHEMBL9213690

SCHEMBL9213690

Cc1ccc2c(C(=O)NCc3ccccc3)oc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 3/20 0.51
MMP3 P08254 3/20 0.47
MMP12 P39900 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
STAT3 P40763 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL9217404 0.93 SMN1; SMN2 (0.60) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL9218110 0.89 ALDH1A1 (0.53) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL9218788 0.89 ALDH1A1 (0.53) ALDH1A1TP53SMN1; SMN2KDM4EHPGD
SCHEMBL9219766 0.89 ALDH1A1 (0.53) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL9216907 0.85 ALDH1A1 (0.53) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL9218881 0.85 SMN1; SMN2 (0.55) ALDH1A1TP53SMN1; SMN2LMNAHPGD
SCHEMBL9219589 0.85 TP53 (0.45) ALDH1A1TP53SMN1; SMN2LMNAPOLB
SCHEMBL9216044 0.84 SAE1 (0.54) ALDH1A1TP53SMN1; SMN2KDM4EHPGD
SCHEMBL9216807 0.83 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL9221111 0.82 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed