SCHEMBL8050658

SCHEMBL8050658

CC(=O)Oc1ccccc1C(=O)CBr

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ ITGB3 P05106 1/20 0.62
▸ ITGA2B P08514 1/20 0.62
▸ HMGB1 P09429 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ GGT1 P19440 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ NAPRT Q6XQN6 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL9371271 0.85 MAPK1 (0.66) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL12572402 0.84 PTGS2 (0.65) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL16058883 0.83 HPGDS (0.46) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL11017487 0.83 PTGS2 (0.74) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL17479842 0.82 PTPN1 (0.47) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL18922721 0.82 PTGS2 (0.62) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL29419354 0.81 HPGDS (0.65) HPGDALDH1A1LMNAKMT2AHPGDS
SCHEMBL169081 0.81 HPGDS (0.65) HPGDALDH1A1LMNAKMT2AHPGDS
SCHEMBL12248113 0.81 PTGS2 (0.61) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL10457143 0.81 PTGS2 (0.66) PTGS2KDM4EHSD17B10HPGDALDH1A1

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
EP-2970282-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS Incyte Corporation (US) 2016-01-20 — — EP disclosed
WO-2014143768-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 — — WO disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 — — US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 — — WO disclosed
US-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 — — US disclosed
Send feedback