SCHEMBL9212461

SCHEMBL9212461

CCCCCCCNC(=O)c1occ2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.55
HPGD P15428 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
APOBEC3A P31941 1/20 0.49
ESR2 Q92731 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.47
EPHX1 P07099 4/20 0.46

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
SCHEMBL9219294 0.84 NAAA (0.50) NAAAHPGDALDH1A1HTTL3MBTL1
SCHEMBL9219330 0.79 NAAA (0.50) NAAAHPGDALDH1A1HTTL3MBTL1
SCHEMBL9211979 0.77 ALDH1A1 (0.43) NAAAHPGDALDH1A1HTTL3MBTL1
SCHEMBL1286894 0.76 NAAA (0.67) NAAAHPGDHTTTSHRMAPK1
SCHEMBL3238026 0.76 NAAA (0.67) NAAAHPGDHTTTSHRMAPK1
SCHEMBL27801490 0.76 NAAA (0.67) NAAAHPGDHTTTSHRMAPK1
Hydrochloric Acid SCHEMBL13738790 0.76 MMP13 (0.59) HPGDALDH1A1L3MBTL1KDM4EGLA
SCHEMBL14058606 0.74 TSHR (0.66) NAAAHPGDHTTTSHR
SCHEMBL11331402 0.74 NAAA (0.63) NAAAHPGDALDH1A1HTTL3MBTL1
SCHEMBL11113919 0.74 NAAA (0.63) NAAAHPGDALDH1A1HTTL3MBTL1

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 2 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
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