SCHEMBL5794492

SCHEMBL5794492

O=C1CCCCN1c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
BRD9 Q9H8M2 1/20 0.47
HPGD P15428 4/20 0.47
AKR1C3 P42330 3/20 0.47
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27409503 0.81 ALDH1A1 (0.59) ALDH1A1HPGDAKR1C3GFERL3MBTL1
SCHEMBL76559 0.81 ALDH1A1 (0.59) ALDH1A1HPGDAKR1C3GFERL3MBTL1
SCHEMBL1626841 0.79 ALDH1A1 (0.58) ALDH1A1HPGDAKR1C3GFERL3MBTL1
SCHEMBL329316 0.79 ALDH1A1 (0.58) ALDH1A1HPGDAKR1C3GFERL3MBTL1
Hydrochloric Acid SCHEMBL7459714 0.79 ALDH1A1 (0.58) ALDH1A1HPGDAKR1C3GFERL3MBTL1
SCHEMBL11142367 0.76 ALDH1A1 (0.74) ALDH1A1HPGDAKR1C3L3MBTL1TP53
SCHEMBL5370230 0.76 CMA1 (0.40)
SCHEMBL85175 0.75 ALDH1A1 (0.58) ALDH1A1BRD9HPGDAKR1C3L3MBTL1
SCHEMBL136476 0.75 ALDH1A1 (0.67) ALDH1A1HPGDAKR1C3L3MBTL1TP53
SCHEMBL85591 0.74 ALDH1A1 (0.57) ALDH1A1BRD9HPGDAKR1C3L3MBTL1

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
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP claimed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP claimed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO claimed
WO-2022222473-A1 INTERMEDIATE OF APIXABAN, AND PREPARATION METHOD THEREFOR 浙江九洲药业股份有限公司 2022-10-27 WO disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed