SCHEMBL8992683

SCHEMBL8992683

C=CCc1ccc(-c2ccc(CC=C)cc2F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH2 P05091 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GABRB2 P47870 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM2 Q14416 8/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8992639 0.88 GABRA1 (0.44) GAAALDH1A1PPARGPPARDKDM4E
SCHEMBL9556597 0.85 GRM2 (0.39) GRM2CYP11B1CYP11B2CYP2C9
SCHEMBL4948816 0.79 ALDH1A1 (0.42) GAAALDH1A1PPARGPPARDKDM4E
SCHEMBL9259062 0.78 GABRA1 (0.45) GAAALDH1A1PPARGPPARDKDM4E
SCHEMBL9326924 0.76 SMN1; SMN2 (0.57) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL9327112 0.76 CYP11B1 (0.46) GAAKDM4EGRM2CYP11B1CYP11B2
SCHEMBL8054086 0.75 CYP11B1 (0.31) GAAALDH1A1PPARGPPARDKDM4E
SCHEMBL8054082 0.75 CYP11B1 (0.31) GAAALDH1A1PPARGPPARDKDM4E
SCHEMBL9325558 0.74 SMN1; SMN2 (0.55) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL10752849 0.74 CYP11B1 (0.56) GAAALDH1A1PPARGPPARDKDM4E

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
EP-0433826-B1 Fluorophenylpyridines HOECHST AG (DE) 1996-07-10 EP disclosed