SCHEMBL10409294

SCHEMBL10409294

CCCCCCNc1ccccc1CCCCCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
KCNH3 Q9ULD8 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CHRM2 P08172 1/20 0.42
CNR2 P34972 2/20 0.42
S1PR2 O95136 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLK1 P53350 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
POLB P06746 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41

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
SCHEMBL4557996 1.00 LIPG (0.51) LIPGL3MBTL1KCNH3SIGMAR1NR1H2
SCHEMBL10408672 0.98 LIPG (0.49) LIPGL3MBTL1KCNH3SIGMAR1NR1H2
SCHEMBL10408667 0.96 LIPG (0.47) LIPGL3MBTL1KCNH3SIGMAR1CHRM2
SCHEMBL9828467 0.92 LIPG (0.45) LIPGL3MBTL1KCNH3SIGMAR1NR1H2
Hydrochloric Acid SCHEMBL25415935 0.91 L3MBTL1 (0.46) LIPGL3MBTL1KCNH3SIGMAR1CHRM2
SCHEMBL10409264 0.89 LIPG (0.43) LIPGL3MBTL1KCNH3SIGMAR1NR1H2
SCHEMBL10409269 0.89 LIPG (0.43) LIPGL3MBTL1KCNH3SIGMAR1NR1H2
SCHEMBL10408180 0.89 POLB (0.46) LIPGL3MBTL1LMNASMN1; SMN2NPSR1
SCHEMBL31310613 0.88 KDM4E (0.44) LIPGL3MBTL1SIGMAR1CHRM2CNR2
SCHEMBL10408194 0.88 LIPG (0.44) LIPGL3MBTL1KCNH3NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed
US-4740620-A HIGH SELECTIVITY TO THE ORTHO POSITION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-04-26 US disclosed
EP-0226781-A1 Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-01 EP disclosed