SCHEMBL7930631

SCHEMBL7930631

CCCCCCCCOc1c(F)c2c(c(F)c1Nc1cccc(C(=O)OCC)c1)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDC25B P30305 4/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 2/20 0.41
TYK2 P29597 2/20 0.41
JAK1 P23458 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL7929768 0.96 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7930880 0.95 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7933319 0.94 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7929952 0.89 MAPT (0.49) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL7921343 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7928227 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7921294 0.87 CDC25B (0.56) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7921356 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7930852 0.85 CDC25B (0.48) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL7929927 0.85 SMN1; SMN2 (0.55) 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