SCHEMBL10895643

SCHEMBL10895643

CCOC(=O)c1cc(N)c(C)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
NPC1 O15118 1/20 0.53
PTGER4 P35408 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ALOX15 P16050 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL11256001 0.89 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL5924129 0.86 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL9699520 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8284687 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL5924185 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.83 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL450492 0.82 NPC1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL10860803 0.82 GPR35 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11235585 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1278720 0.82 NPC1 (0.68) CA12CA1CA2CA7CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040035-B2 Gas separation membrane, gas separation module, gas separation device, and gas separation method FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-10040035-B2 Gas separation membrane, gas separation module, gas separation device, and gas separation method FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-20160199790-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION DEVICE, AND GAS SEPARATION METHOD FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
US-20160199790-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION DEVICE, AND GAS SEPARATION METHOD FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
US-4592957-A Emulsifying a mixture of hydrophobic core and water polyamine; adding water soluble polyisocyanate bisulfite adduct BAYER AKTIENGESELLSCHAFT (DE) 1986-06-03 US disclosed
US-4517141-A POLYUREAS FROM BISULFITE- MASKED POLYISOCYANATES; PROTECTIVE COLLOIDS BAYER AKTIENGESELLSCHAFT (DE) 1985-05-14 US disclosed
US-4297442-A SAID FORM BEING A POLYURETHANE METZELER KAUTSCHUK GMBH (DE) 1981-10-27 US disclosed