SCHEMBL11502019

SCHEMBL11502019

CCOCCNC(=O)N=C(N)NCCCCCCNC(N)=NC(=O)NCCOCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ EPHX2 P34913 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11502078 0.74 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL11501703 0.73 DNM1 (0.44) —
SCHEMBL11501821 0.73 L3MBTL1 (0.55) TSHRRAB9AEPHX2KMT2ANPC1
SCHEMBL1455011 0.72 — —
Ipexidine SCHEMBL11468017 0.71 GNAI3 (0.52) KDM4E
SCHEMBL31335423 0.70 EPHX2 (0.52) TSHRRAB9ACA12CA1CA2
Hydrochloric Acid SCHEMBL30812407 0.70 TSHR (0.47) TSHRRAB9ACA2EPHX2KMT2A
SCHEMBL24438211 0.69 EPHX1 (0.67) TSHREPHX2
SCHEMBL23797003 0.69 GAA (0.39) EPHX2KMT2AMEN1ALDH1A1
SCHEMBL23797004 0.69 GAA (0.39) EPHX2KMT2AMEN1ALDH1A1

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-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 — — US claimed
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