SCHEMBL9730987

SCHEMBL9730987

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)c1cc(C(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC)ncn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9730983 0.94 HCAR2 (0.41) MAOAMAOBALDH1A1MAPTL3MBTL1
SCHEMBL9731409 0.81 NTRK2 (0.45) ALDH1A1MAPTL3MBTL1
SCHEMBL6480081 0.78 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1
SCHEMBL2999656 0.76 MAOA (0.38) MAOAMAOB
SCHEMBL3004515 0.76 MAOA (0.38) MAOAMAOB
SCHEMBL10458612 0.76 KDM4E (0.55) ALDH1A1L3MBTL1
SCHEMBL8611143 0.76 KDM4E (0.55) ALDH1A1L3MBTL1
SCHEMBL27917303 0.76 KDM4E (0.57) ALDH1A1MAPT
SCHEMBL9731397 0.75 NTRK2 (0.41)
SCHEMBL368928 0.74 KDM4E (0.55) ALDH1A1MAPT

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
US-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed