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SCHEMBL17366457

SCHEMBL17366457

CC(C)(C)N(c1ccc(N2CN(c3ccc(N(C(C)(C)C)C(C)(C)C)cc3)CN(c3ccc(N(C(C)(C)C)C(C)(C)C)cc3)C2)cc1)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17366458 0.92 ALDH1A1 (0.41) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL17693521 0.89 ALDH1A1 (0.39) KDM4EALDH1A1TDP1
SCHEMBL18648379 0.86 — —
SCHEMBL17368714 0.86 — —
SCHEMBL18648229 0.80 SLC2A1 (0.33) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL18098044 0.79 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL21082079 0.79 MMP2 (0.31) —
SCHEMBL16633168 0.75 ALDH1A1 (0.55) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL19506972 0.70 TSHR (0.46) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL4230096 0.69 ALDH1A1 (0.61) KDM4EALDH1A1MAPTNPSR1TDP1

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-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 — — US disclosed
US-20150376442-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 — — US disclosed