SCHEMBL7933212

SCHEMBL7933212

CCCCOC(=O)c1cccc(Nc2c(F)c3c(c(F)c2Nc2cccc(C(=O)OCCCC)c2)C(=O)c2c(O)ccc(O)c2C3=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
LMNA P02545 2/20 0.48
ESR1 P03372 4/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
CDC25B P30305 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7921281 0.96 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7921343 0.92 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7930880 0.91 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7921294 0.89 CDC25B (0.56) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7929768 0.88 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7928292 0.87 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7921400 0.87 HPGD (0.52) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7933319 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7928570 0.85 CDC25B (0.54) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL7930631 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HPGDCYP1A2

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