SCHEMBL15225902

SCHEMBL15225902

O=Cc1ccccc1-c1ccc(-c2ccco2)cc1-n1cncn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.43
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 2/20 0.33
TDP2 O95551 1/20 0.33
PIK3R1 P27986 4/20 0.32
PIK3CA P42336 4/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
FLT3 P36888 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4035120 0.76 TUBB4A (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL192940 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL4538692 0.69 GRM7 (0.37) PIK3R1PIK3CAMAPT
SCHEMBL1308192 0.69 TUBB4A (0.38) ERN1ALDH1A1MAPTHPGDFLT3
SCHEMBL13632104 0.68 TUBB4A (0.43) ERN1ALDH1A1MAPTHPGDEGLN1
SCHEMBL610633 0.68 ERN1 (0.49) ERN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL15225811 0.65 CYP2A6 (0.35) ERN1ALDH1A1KDM4ECHEK1HPGD
SCHEMBL1309464 0.65 TUBB4A (0.64) ALDH1A1KDM4EMAPTHPGD
SCHEMBL4215108 0.63 GRM7 (0.41) PIK3R1PIK3CAMAPT
SCHEMBL27972411 0.63 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed