SCHEMBL9840510

SCHEMBL9840510

CCCCCCCCCCCCCCOc1ccc(-c2ccc(OCC(C)CC)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 6/20 0.43
CYP19A1 P11511 6/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP1A2 P05177 3/20 0.43
NR5A1 Q13285 1/20 0.41
RARB P10826 3/20 0.41
CYP3A4 P08684 1/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.38

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
SCHEMBL10722065 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239005 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9236991 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237754 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL10719231 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9235964 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239770 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9815968 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL10719111 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240575 1.00 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP claimed
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed