SCHEMBL3263302

SCHEMBL3263302

CCc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2)c(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KCNA5 P22460 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ HKDC1 Q2TB90 2/20 0.45
▸ HK1 P19367 1/20 0.45
▸ METAP2 P50579 1/20 0.44
▸ CCR9 P51686 1/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL7284695 0.81 TDP1 (0.51) LMNAALDH1A1CYP1A2KCNA5KEAP1
SCHEMBL3186556 0.76 CYP2C9 (0.51) LMNAALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL3176961 0.76 LMNA (0.55) LMNAHTTALDH1A1HPGDHSD17B10
SCHEMBL3170331 0.74 HTT (0.46) LMNAHTTALDH1A1HPGDHSD17B10
SCHEMBL12220857 0.73 LMNA (0.81) LMNAHTTALDH1A1CYP1A2HPGD
SCHEMBL27995 0.73 ALDH1A1 (0.74) LMNAHTTALDH1A1CYP1A2HPGD
SCHEMBL9664772 0.72 ALDH1A1 (0.44) LMNAHTTALDH1A1SMN1; SMN2KEAP1
SCHEMBL7275199 0.72 HTT (0.46) LMNAHTTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3177473 0.71 LMNA (0.58) LMNAALDH1A1HPGDHSD17B10TSHR
SCHEMBL3180328 0.71 ALDH1A1 (0.52) LMNAALDH1A1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 — — US claimed
EP-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 — — EP disclosed
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 — — US disclosed
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 — — US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 — — US disclosed
EP-0516392-A2 Naphthyridine derivatives as angiotensin II inhibitors ZENECA LIMITED (GB) 1992-12-02 — — EP disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 — — EP disclosed
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