SCHEMBL15214860

SCHEMBL15214860

Cc1ccc(-c2csc3c(NCCCN4CCCC4)ncnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ MBTD1 Q05BQ5 1/20 0.39
▸ HPGD P15428 2/20 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
SCHEMBL10359775 0.90 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2478712 0.90 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10176265 0.89 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2475963 0.80 EGFR (0.41) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15214852 0.74 LPAR2 (0.42) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL30092872 0.72 PDE4A (0.50) LMNASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL3930470 0.66 FLT1 (0.52) LMNASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL6398916 0.66 HRH1 (0.53) MAPK1LPAR2
SCHEMBL22714899 0.65 KDM4E (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13102365 0.64 HRH3 (0.50) ALDH1A1KDM4EL3MBTL1MBTD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
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