SCHEMBL7192258

SCHEMBL7192258

CCCc1ccc(OC)c(C=CC(=O)c2ccc(NC)cc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.49
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCC1 P33527 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KRAS P01116 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MAOA P21397 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MITF O75030 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
SCHEMBL7192257 1.00 ABCG2 (0.49) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7183334 0.87 CAPN1 (0.53) ABCG2MAPTALDH1A1LMNAKDM4E
SCHEMBL7183340 0.87 CAPN1 (0.53) ABCG2MAPTALDH1A1LMNAKDM4E
SCHEMBL7192392 0.86 CA1 (0.56) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7192397 0.86 CA1 (0.56) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7191659 0.86 PTPN1 (0.48) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7191664 0.86 PTPN1 (0.48) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7177791 0.86 CYP1A1 (0.42) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7177798 0.86 CYP1A1 (0.42) ABCG2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7191587 0.85 ABCG2 (0.36) ABCG2MAPTALDH1A1SMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed