SCHEMBL9680903

SCHEMBL9680903

CC1(C)C=C(c2cccn(Cc3ccccc3)c2=O)c2cc(F)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 9/20 0.41
GAA P10253 5/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
CYP1A2 P05177 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9680897 0.88 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1KMT2AMEN1HTT
SCHEMBL9682106 0.88 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1KMT2AMEN1HTT
SCHEMBL9681489 0.85 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1HTT
SCHEMBL9681507 0.85 CASP1 (0.42) HTTKDM4EALDH1A1GAAGLA
SCHEMBL9680406 0.84 POLB (0.45) SMN1; SMN2L3MBTL1KMT2AMEN1KDM4E
SCHEMBL9681433 0.82 CFTR (0.42) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL9682059 0.81 MAPT (0.45) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL9682898 0.74 RARA (0.32) KDM4EMAPTNPSR1
SCHEMBL9682129 0.72 ALDH1A1 (0.36) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL9680361 0.72 KDM4E (0.36) KMT2AMEN1KDM4EALDH1A1CYP3A4

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed