SCHEMBL434528

SCHEMBL434528

O=C(NCC(c1ccccc1)N1CCCC1)C1(c2ccc3oncc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
P2RX7 Q99572 3/20 0.40
OPRK1 P41145 1/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL434527 0.80 ROCK2 (0.41) ROCK2ROCK1ALDH1A1OPRK1MAPK1
SCHEMBL10083742 0.80 ROCK2 (0.41) ROCK2ROCK1ALDH1A1OPRK1MAPK1
Hydrochloric Acid SCHEMBL433923 0.80 HSD11B1 (0.49) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL434036 0.79 TP53 (0.54) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL431724 0.78 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AROCK2ROCK1
SCHEMBL433860 0.78 P2RX7 (0.55) P2RX7TP53
SCHEMBL433922 0.77 SMN1; SMN2 (0.53) L3MBTL1MEN1KMT2AALDH1A1P2RX7
SCHEMBL432970 0.76 CYP1A2 (0.44) L3MBTL1MEN1KMT2AROCK2ROCK1
SCHEMBL433444 0.76 SLC6A4 (0.47) L3MBTL1MEN1KMT2AROCK2ROCK1
SCHEMBL435516 0.76 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1KDM4E

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-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO disclosed