SCHEMBL19632887

SCHEMBL19632887

CC1CCCN(CCNc2ccc(Br)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ GAA P10253 1/20 0.62
▸ KDM4E B2RXH2 4/20 0.60
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ POLB P06746 1/20 0.48
▸ TERT O14746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.41

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
SCHEMBL3588717 0.80 SIGMAR1 (0.55) KDM4ELMNAALDH1A1
SCHEMBL23671492 0.79 SIGMAR1 (0.56) SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL5757616 0.78 HRH3 (0.56) KDM4EALDH1A1CYP3A4CYP2C19HRH3
SCHEMBL4094728 0.74 KDM4E (0.87) SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL17888266 0.72 CARM1 (0.60) SMN1; SMN2GAAKDM4ELMNAALDH1A1
SCHEMBL17277592 0.72 CARM1 (0.60) SMN1; SMN2GAAKDM4ELMNAALDH1A1
SCHEMBL17888267 0.72 CARM1 (0.60) SMN1; SMN2GAAKDM4ELMNAALDH1A1
SCHEMBL21078331 0.71 KDM4E (0.47) SMN1; SMN2GAAKDM4ELMNAALDH1A1
SCHEMBL21622407 0.70 L3MBTL1 (0.54) KDM4EALDH1A1HRH3
SCHEMBL19226319 0.69 KDM4E (0.46) SMN1; SMN2GAAKDM4ELMNAALDH1A1

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-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 — — WO disclosed
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