SCHEMBL7933046

SCHEMBL7933046

CC(C)(C)c1ccccc1Nc1c(F)c2c(c(F)c1Nc1ccccc1C(C)(C)C)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
CXCR2 P25025 2/20 0.34
LMNA P02545 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL7933112 0.78 EGFR (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7933039 0.75 CXCR2 (0.45) TSHRMEN1KMT2AMAPTMAOA
SCHEMBL7928305 0.74 MEN1 (0.42) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7930883 0.74 CXCR2 (0.47) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL7930683 0.74 CYP3A4 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7921212 0.73 EGFR (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7921267 0.72 CXCR2 (0.44) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7928319 0.71 KMT2A (0.41) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7933247 0.70 CXCR2 (0.43) TSHRMEN1KMT2AMAPTMAOA
SCHEMBL7929945 0.70 CLCN2 (0.40) ALDH1A1TSHRTDP1MEN1KMT2A

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