SCHEMBL8059880

SCHEMBL8059880

O=C(Br)C(Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNN4 O15554 4/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL1568477 0.81 CYP1A2 (0.54) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL1414646 0.81 CYP1A2 (0.48) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL11884455 0.77 MAPT (0.46) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL25968774 0.77 MAPT (0.58) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL2927951 0.77 CYP2C9 (0.50) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL31380243 0.77 CYP1A2 (0.44) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL11812791 0.75 HDAC3 (0.57) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL3174356 0.73 KCNN4 (0.69) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL11536202 0.73 KMT2A (0.48) CYP1A2MAPTKMT2AKCNN4CYP2C19
SCHEMBL16267608 0.73 PTPN1 (0.46) CYP1A2MAPTKMT2AKCNN4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 — — EP claimed
US-5663022-A Recording sheets XEROX CORPORATION (US) 1997-09-02 — — US claimed
EP-0674232-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 — — EP claimed
US-4254285-A 1-Hydroxymethyl-1-1-oxo prostane derivatives of the E and F series AMERICAN CYANAMID COMPANY (US) 1981-03-03 — — US disclosed
US-4250325-A ANTISECRETORY, BRONCHODILATOR, ANTIFERTILITY, AND ANTIINFLAMMATORY AGENTS; OXYTOCICS; MUSCLE STIMULANTS AMERICAN CYANAMID COMPANY (US) 1981-02-10 — — US disclosed
EP-0013107-A1 16-Hydroxy-16-vinyl (or cyclopropyl)-prostan-1-ols and pharmaceutical compositions containing the same AMERICAN CYANAMID COMPANY (US) 1980-07-09 — — EP disclosed
US-4206151-A BRONCHODILATOR, ANTISECRETORY, HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1980-06-03 — — US disclosed
EP-0002590-A1 Novel prostaglandin compounds, processes for the preparation thereof and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-06-27 — — EP disclosed
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