SCHEMBL27775481

SCHEMBL27775481

CCCCCC=Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
LMNA P02545 4/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 2/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
CYP4F11 Q9HBI6 1/20 0.38
CYP4F12 Q9HCS2 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALPL P05186 1/20 0.36

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
SCHEMBL11762488 0.87 PRSS1 (0.39) CYP2C9LMNAHPGDCYP3A4CYP2D6
SCHEMBL11762493 0.87 PRSS1 (0.39) CYP2C9LMNAHPGDCYP3A4CYP2D6
SCHEMBL1758444 0.87 CYP2C9 (0.53) CYP2C9LMNAHPGDCYP3A4CYP2D6
SCHEMBL1758445 0.87 CYP2C9 (0.53) CYP2C9LMNAHPGDCYP3A4CYP2D6
SCHEMBL18489454 0.80 TLR8 (0.39) TLR8
SCHEMBL13376542 0.79 CYP2C9 (0.57) CYP2C9LMNAHPGDCYP3A4CYP2D6
SCHEMBL16620411 0.78 CYP2C9 (0.45) CYP2C9LMNAHPGDCYP3A4MAPT
SCHEMBL16620412 0.78 CYP2C9 (0.45) CYP2C9LMNAHPGDCYP3A4MAPT
SCHEMBL18396241 0.77 CYP2C9 (0.44) CYP2C9LMNAHPGDMAPTALDH1A1
SCHEMBL18396243 0.77 CYP2C9 (0.44) CYP2C9LMNAHPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668780-B Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORP 2012-11-28 CN disclosed
CN-101679571-B Conjugated diene copolymer rubber, process for producing the same, rubber composition, and tire JSR CORP. (JP) 2012-02-01 CN disclosed
CN-101679571-A Conjugated diene copolymer rubber, process for producing the same, rubber composition, and tire JSR CORP 2010-03-24 CN disclosed
CN-101668780-A Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORP 2010-03-10 CN disclosed