SCHEMBL14503449

SCHEMBL14503449

Cc1ccc(B(OC(C)CN)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SCN4A P35499 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 1/20 0.30

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
SCHEMBL2407037 0.85 CYP3A4 (0.36) CYP3A4SMN1; SMN2LMNA
SCHEMBL12271041 0.80 SLC6A3 (0.33) CYP3A4SMN1; SMN2KMT2ASLC6A4SLC6A3
SCHEMBL14503479 0.80 CYP3A4 (0.33) CYP3A4HPGD
SCHEMBL12270797 0.79 NOS2 (0.47) SMN1; SMN2LMNASCN4ACHRNB2SLC6A2
SCHEMBL5377516 0.77 SMN1; SMN2 (0.40) CYP3A4SMN1; SMN2LMNASCN4AKMT2A
SCHEMBL1555060 0.76 CYP3A4 (0.41) CYP3A4SMN1; SMN2LMNASCN4AKMT2A
SCHEMBL12270783 0.76 CYP3A4 (0.31) CYP3A4SMN1; SMN2LMNA
SCHEMBL2407880 0.75 CYP3A4 (0.46) CYP3A4KMT2AHPGDSLC6A2SLC6A4
SCHEMBL13476066 0.74 HPGD (0.49) CYP3A4SMN1; SMN2KMT2AHPGDKDM4E
SCHEMBL2408889 0.73 HPGD (0.51) CYP3A4SMN1; SMN2KMT2AHPGDKDM4E

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-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — US disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — US disclosed
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