SCHEMBL1955800

SCHEMBL1955800

Nc1ccc(CN2CCCC(O)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ HTT P42858 2/20 0.54
▸ LTA4H P09960 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GBA1 P04062 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CCR5 P51681 1/20 0.46

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
SCHEMBL3935123 0.90 ALDH1A1 (0.57) ALDH1A1LTA4HGBA1LMNACYP2D6
SCHEMBL3935867 0.90 ALDH1A1 (0.57) ALDH1A1LTA4HGBA1LMNACYP2D6
SCHEMBL188289 0.90 ALDH1A1 (0.57) ALDH1A1LTA4HGBA1LMNACYP2D6
SCHEMBL8251471 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1427977 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL20160542 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL4592570 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1427979 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL16121539 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL4592170 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507229-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-10-05 — — EP disclosed
EP-2376480-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-06-01 — — EP disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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