SCHEMBL28463170

SCHEMBL28463170

N#CCc1ccccc1C#N.N#Cc1ccc(C#N)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
CYP19A1 P11511 2/20 0.45
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
AR P10275 1/20 0.42
HPGD P15428 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL820195 0.90 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2CYP19A1FFAR1
SCHEMBL30409781 0.90 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2CYP19A1FFAR1
SCHEMBL11228244 0.79 IMPDH2 (0.59) ALDH1A1MAPTIMPDH2IMPDH1CYP19A1
SCHEMBL29489135 0.78 IMPDH2 (0.64) ALDH1A1MAPTIMPDH2IMPDH1CYP19A1
SCHEMBL151936 0.78 IMPDH2 (0.64) ALDH1A1MAPTIMPDH2IMPDH1CYP19A1
SCHEMBL11193357 0.76 IMPDH2 (0.61) ALDH1A1MAPTIMPDH2IMPDH1CYP19A1
SCHEMBL28817550 0.74 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2CYP19A1FFAR1
SCHEMBL4797057 0.74 CYP19A1 (0.43) ALDH1A1MAPTSMN1; SMN2CYP19A1FFAR1
SCHEMBL29809738 0.73 ALDH1A1 (0.56) ALDH1A1MAPTFFAR1FFAR4HPGD
SCHEMBL1945874 0.73 ALDH1A1 (0.56) ALDH1A1MAPTFFAR1FFAR4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111668536-B Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2021-03-23 CN claimed
CN-111668536-A Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2020-09-15 CN claimed
CN-111668536-B Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2021-03-23 CN disclosed
CN-111668536-A Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2020-09-15 CN disclosed