SCHEMBL9502152

SCHEMBL9502152

CCCCC(Cc1ccc(C)cc1)C(O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TBXAS1 P24557 2/20 0.37
CYP51A1 Q16850 5/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 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
SCHEMBL9485916 0.89 POLB (0.41) SMN1; SMN2L3MBTL1LMNATDP1CYP2C9
SCHEMBL9502121 0.87 KIF11 (0.39) SMN1; SMN2L3MBTL1LMNARAB9A
SCHEMBL9485964 0.79 CNR1 (0.37) SMN1; SMN2CYP2C9CYP2C19CYP51A1
SCHEMBL20779411 0.78 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1LMNATDP1CYP2C9
SCHEMBL28994745 0.78 LMNA (0.47) SMN1; SMN2L3MBTL1LMNATDP1CYP2C9
SCHEMBL14078043 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1LMNACYP2C9CYP2C19
SCHEMBL9487014 0.75 ADRB3 (0.40) SMN1; SMN2LMNARAB9AADRB1ADRB3
SCHEMBL9629718 0.75 L3MBTL1 (0.51) SMN1; SMN2L3MBTL1LMNATDP1CYP2C9
SCHEMBL9630561 0.74 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1LMNACYP2C9CYP2C19
SCHEMBL14387788 0.73 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1LMNAGAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311907-B1 3-SUBSTITUTED PYRIDINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-07-21 EP claimed
EP-0311907-A2 3-Substituted pyridines and fungicides containing them BASF Aktiengesellschaft (DE) 1989-04-19 EP claimed