SCHEMBL9710751

SCHEMBL9710751

N#Cc1cc2ccccc2[c]c1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PIN1 Q13526 1/20 0.39
HPGD P15428 4/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6672925 0.81 CA1 (0.39) CA1CA2MEN1KMT2APOLB
SCHEMBL10470533 0.76 LTA4H (0.37) SMN1; SMN2MEN1KMT2AHPGDCYP1A2
SCHEMBL10471230 0.76 LTA4H (0.37) MEN1KMT2APIN1POLBCYP1A2
SCHEMBL4805734 0.75 CA1 (0.42) CA1CA2MEN1KMT2ACYP1A2
SCHEMBL3525889 0.73 CA1 (0.43) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL13612659 0.69 SMN1; SMN2 (0.53) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL149126 0.69 CA1 (0.64) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL29489128 0.69 CA1 (0.64) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL6668843 0.68 CA1 (0.39) CA1CA2SMN1; SMN2MEN1KMT2A
Diphenylether SCHEMBL28706414 0.67 LTA4H (0.60) SMN1; SMN2MEN1KMT2APIN1HPGD

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
WO-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed