SCHEMBL14626151

SCHEMBL14626151

O=CN1Cc2ccc(C(=O)N3CCCC3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.51
ALDH1A1 P00352 3/20 0.51
AKR1C1 Q04828 1/20 0.51
MAPK1 P28482 1/20 0.47
KDM1A O60341 1/20 0.47
PLA2G7 Q13093 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL14067262 0.80 HPGD (0.55) HPGDALDH1A1KDM1APLA2G7TSHR
SCHEMBL13236584 0.79 ALDH1A1 (0.50) ALDH1A1AKR1C1MAPK1KDM1AGAA
SCHEMBL14625863 0.78 HSD17B3 (0.50) ALDH1A1AKR1C1KDM1AL3MBTL1POLB
SCHEMBL8476735 0.75 F10 (0.56) HPGDALDH1A1KDM1AGAAL3MBTL1
SCHEMBL7844114 0.74 ALDH1A1 (0.62) ALDH1A1AKR1C1MAPK1KDM1APOLB
SCHEMBL14626051 0.74 AKR1C3 (0.42) HPGDALDH1A1
SCHEMBL4235087 0.73 MEN1 (0.57) HPGDALDH1A1MAPK1TSHR
SCHEMBL12853762 0.73 KMT2A (0.62) HPGDALDH1A1MAPK1POLBTSHR
Hydrochloric Acid SCHEMBL4237529 0.72 HPGD (0.55) HPGDALDH1A1MAPK1KDM1APLA2G7
SCHEMBL10721733 0.72 HPGD (0.95) HPGDALDH1A1MAPK1L3MBTL1TSHR

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
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed