SCHEMBL10649671

SCHEMBL10649671

CN(c1nc(NCCCCCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.33
DNM2 P50570 7/20 0.33
ALOX15 P16050 1/20 0.33
KMT5A Q9NQR1 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13606383 0.92 DNM2 (0.34) KCNH2DNM2ALOX15NPSR1
SCHEMBL13688604 0.91 KDM1A (0.34)
SCHEMBL9089687 0.88 CDK1 (0.36) KCNH2ALOX15
SCHEMBL10808892 0.87
SCHEMBL18380651 0.86 TSHR (0.30)
SCHEMBL13588272 0.86 CA1 (0.31)
SCHEMBL13588271 0.85 ESR1 (0.32)
SCHEMBL10650354 0.84 DNM2 (0.32) DNM2
SCHEMBL13688602 0.82 CRHR1 (0.36)
SCHEMBL18623967 0.82 ALOX15 (0.42) KCNH2ALOX15ALDH1A1NPSR1

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
EP-0292437-A2 Piperidylaminotriazine derivatives and their use as stabilizers CIBA-GEIGY AG (CH) 1988-11-23 EP disclosed