SCHEMBL14598933

SCHEMBL14598933

COc1ccc2[nH]c3cc4c(=O)c5cccc(Cl)c5[nH]c4cc3c(=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.64
▸ STING1 Q86WV6 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CTSV O60911 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ DYRK1A Q13627 3/20 0.50
▸ CDK9 P50750 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ ROCK2 O75116 2/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ WEE1 P30291 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47

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
SCHEMBL19934174 0.84 ABCG2 (0.45) ABCG2STING1ALDH1A1MAPTKMT2A
SCHEMBL29391821 0.83 DYRK1A (0.60) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4172883 0.83 DYRK1A (0.60) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL14668902 0.83 ABCG2 (0.78) ABCG2STING1KDM4EALDH1A1MEN1
SCHEMBL14668878 0.82 ABCG2 (0.94) ABCG2STING1KDM4EALDH1A1MEN1
SCHEMBL14598930 0.82 DYRK1A (0.60) ABCG2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14598931 0.82 ABCG2 (0.64) ABCG2STING1KDM4EALDH1A1MEN1
SCHEMBL9601051 0.80 ABCG2 (0.65) ABCG2STING1KDM4EALDH1A1MEN1
SCHEMBL12285521 0.80 ABCG2 (0.83) ABCG2STING1KDM4EALDH1A1MEN1
SCHEMBL19885324 0.79 DYRK1A (0.61) ABCG2KDM4EALDH1A1MEN1MAPT

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-2551304-B1 Quinacridone pigment compositions comprising unsymmetrically substituted components BASF SE (DE) 2014-12-17 — — EP disclosed
EP-2551304-A1 Quinacridone pigment compositions comprising unsymmetrically substituted components BASF SE (DE) 2013-01-30 — — EP disclosed
US-7166158-B2 Quinacridone pigment compositions comprising unsymmetrically substituted components CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 — — US disclosed
US-7166158-B2 Quinacridone pigment compositions comprising unsymmetrically substituted components CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 — — US disclosed
Send feedback