SCHEMBL23135012

SCHEMBL23135012

Cn1c(-c2ccc3cc(N4CCCCC4)ccc3c2)ccc1-c1ccncc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 1/20 0.37

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
SCHEMBL17099818 0.87 KDM4E (0.44) CYP11B1CYP11B2KDM4ENSD2LMNA
SCHEMBL29662934 0.87 KDM4E (0.44) CYP11B1CYP11B2KDM4ENSD2LMNA
SCHEMBL17120698 0.81 CHEK1 (0.48) CYP11B1CYP11B2KDM4ENSD2LMNA
SCHEMBL17120693 0.77 CNR2 (0.46) PIM1CDK9CYP11B1CYP11B2CHEK1
SCHEMBL17099871 0.77 KDM4E (0.47) CYP11B1CYP11B2KDM4ENSD2LMNA
SCHEMBL17120694 0.76 KDM4E (0.61) KDM4ENSD2LMNAMAPTTSHR
SCHEMBL25615719 0.75 CHEK1 (0.43) KDM4ENSD2LMNAMAPTTSHR
SCHEMBL21226418 0.75 CYP11B1 (0.38) CYP11B1CYP11B2KDM4ELMNAMAPT
SCHEMBL21898956 0.73 CHEK1 (0.45) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL17120696 0.70 RPS6KA3 (0.55) CHEK1TBK1RPS6KA3RPS6KA2RPS6KA1

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-2021055639-A1 METHODS OF DETECTING NEUROLOGICAL DISORDERS VIA BINDING TO PHOSPHORYLATED TAU PROTEIN SARRAF STELLA (US) 2021-03-25 — — WO disclosed
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