SCHEMBL7930852

SCHEMBL7930852

CCCCCCCCOc1c(Nc2cccc(C(=O)OCC)c2)c(Nc2cccc(C(=O)OCC)c2)cc2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
TP53 P04637 2/20 0.39
CREBBP Q92793 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 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
SCHEMBL7921067 0.91 MAPT (0.46) CDC25BSMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL7933319 0.86 SMN1; SMN2 (0.48) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7921356 0.85 SMN1; SMN2 (0.48) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7930631 0.85 SMN1; SMN2 (0.49) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7929927 0.85 SMN1; SMN2 (0.55) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7928227 0.84 SMN1; SMN2 (0.48) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7928567 0.83 LMNA (0.36) CDC25BSMN1; SMN2KDM4EMAPTLMNA
SCHEMBL7927091 0.82 SMN1; SMN2 (0.52) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7929768 0.81 SMN1; SMN2 (0.53) CDC25BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7930880 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDCYP1A2

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-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed