SCHEMBL5049768

SCHEMBL5049768

CSc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
TACR3 P29371 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.55
TP53 P04637 1/20 0.48
CNR1 P21554 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 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
SCHEMBL4438433 0.89 LMNA (0.64) LMNACYP2D6CYP2C19TACR3L3MBTL1
SCHEMBL16553849 0.85 LMNA (0.67) LMNACYP2C19TACR3L3MBTL1TP53
SCHEMBL3870523 0.84 LMNA (0.65) LMNACYP2D6CYP2C19TACR3L3MBTL1
Hydrochloric Acid SCHEMBL5499021 0.83 LMNA (0.64) LMNACYP2D6CYP2C19TACR3L3MBTL1
SCHEMBL4667125 0.82 LMNA (0.62) LMNATACR3L3MBTL1TP53CNR1
SCHEMBL5049830 0.81 LMNA (0.67) LMNATACR3L3MBTL1TP53CNR1
SCHEMBL5046700 0.81 LMNA (0.61) LMNATACR3L3MBTL1TP53CNR1
SCHEMBL5047970 0.81 LMNA (0.67) LMNATACR3L3MBTL1TP53CNR1
SCHEMBL5045776 0.81 CYP2D6 (0.56) LMNACYP2D6CYP2C19TACR3TP53
SCHEMBL5045993 0.80 LMNA (0.66) LMNATACR3L3MBTL1TP53CNR1

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-1928835-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS Astra Zeneca AB (SE) 2008-06-11 EP claimed
WO-2007035158-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed