SCHEMBL4740282

SCHEMBL4740282

NC(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.66
ALDH1A1 P00352 2/20 0.65
HDAC4 P56524 1/20 0.61
HPGD P15428 2/20 0.53
FFAR1 O14842 1/20 0.51
DEGS1 O15121 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
KDM1A O60341 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2B6 P20813 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL12836827 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4130704 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4856112 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL871538 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL5816055 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL7050196 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL1224903 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL4380280 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL6388776 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Ammonia Solution, Strong SCHEMBL27604546 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed