SCHEMBL20101128

SCHEMBL20101128

NCc1cc(N)cc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
ABAT P80404 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CA14 Q9ULX7 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
LTA4H P09960 1/20 0.34
THRB P10828 2/20 0.33
BACE1 P56817 1/20 0.33
PTGS2 P35354 3/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL726261 0.84 ENPP2 (0.56) ENPP2ABATLOXL2ACHEALDH1A1
SCHEMBL632507 0.84 ENPP2 (0.56) ENPP2ABATLOXL2ACHEALDH1A1
SCHEMBL6426051 0.82 ACHE (0.42) ENPP2ACHEALDH1A1CA14CA12
Hydrochloric Acid SCHEMBL3175518 0.81 ENPP2 (0.54) ENPP2ABATACHETDP1TAAR1
SCHEMBL11434386 0.81 LOXL2 (0.50) ENPP2ABATLOXL2ALDH1A1CYP3A4
SCHEMBL10431191 0.81 LOXL2 (0.50) ENPP2ABATLOXL2ALDH1A1CYP3A4
SCHEMBL4936785 0.80 ACHE (0.67) ENPP2ACHEALDH1A1CA14CA12
Hydrochloric Acid SCHEMBL10382120 0.78 LOXL2 (0.48) ENPP2ABATLOXL2ALDH1A1CA1
SCHEMBL25132436 0.78 ACHE (0.44) ENPP2ACHEALDH1A1CA14CA12
SCHEMBL15805541 0.78 ACHE (0.39) ENPP2ACHEALDH1A1CA14CA12

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-20180119279-A1 PROCESS FOR PRODUCING FLEXIBLE ORGANIC-INORGANIC LAMINATES BASF COATINGS GMBH (DE) 2018-05-03 US disclosed
US-20180119279-A1 PROCESS FOR PRODUCING FLEXIBLE ORGANIC-INORGANIC LAMINATES BASF COATINGS GMBH (DE) 2018-05-03 US disclosed