SCHEMBL4029550

SCHEMBL4029550

C=CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA9 Q16790 5/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL30083978 1.00 CA12 (0.54) CA12CA1CA9MEN1KMT2A
SCHEMBL2043709 0.96 CA12 (0.51) CA12CA1CA9MEN1KMT2A
SCHEMBL3825460 0.88 CA12 (0.64) CA12CA1CA9MEN1KMT2A
SCHEMBL3823460 0.84 CA12 (0.60) CA12CA1CA9MEN1KMT2A
SCHEMBL17357518 0.82 CA12 (0.58) CA12CA1CA9MEN1KMT2A
SCHEMBL548079 0.82 CA12 (0.53) CA12CA1CA9MEN1KMT2A
SCHEMBL470906 0.81 CA12 (0.57) CA12CA1CA9MEN1KMT2A
SCHEMBL30541768 0.81 CA12 (0.57) CA12CA1CA9MEN1KMT2A
SCHEMBL7650010 0.81 CA12 (0.57) CA12CA1CA9MEN1KMT2A
SCHEMBL25882213 0.80 CA12 (0.56) CA12CA1CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed
EP-0755527-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2000-03-15 EP disclosed
US-5674432-A USED FOR OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1997-10-07 US disclosed
EP-0755527-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1997-06-18 EP disclosed
EP-0755527-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-01-29 EP disclosed
US-5565147-A OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1996-10-15 US disclosed
WO-1995027914-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-10-19 WO disclosed
US-5451344-A Opthalmic lenses or transparencies for photochromic compounds TRANSITIONS OPTICAL, INC. (US) 1995-09-19 US disclosed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed