SCHEMBL16140457

SCHEMBL16140457

CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(N)cc3c2C1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 13/20 0.71
▸ LMNA P02545 2/20 0.58
▸ PABPC1 P11940 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ NR1H2 P55055 1/20 0.58
▸ F12 P00748 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ KDR P35968 1/20 0.47

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
SCHEMBL5373313 0.92 BAZ2B (0.63) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL30228387 0.88 TRPV1 (0.59) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2832897 0.88 LMNA (0.76) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL409534 0.87 BAZ2B (0.71) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL21114757 0.87 BAZ2B (0.71) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL5104575 0.87 BAZ2B (0.71) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL3312381 0.86 LMNA (0.57) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL21162488 0.86 BAZ2B (0.74) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL30228575 0.86 BAZ2B (0.74) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL5107538 0.85 CFTR (0.61) BAZ2BLMNAPABPC1ATMSMN1; SMN2

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-2014155300-A2 SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-10-02 — — WO disclosed
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