SCHEMBL28891161

SCHEMBL28891161

C=C1c2ccccc2Cc2cccc(-c3ccncc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CYP19A1 P11511 4/20 0.40
▸ TNF P01375 3/20 0.40
▸ MAOA P21397 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 2/20 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
SCHEMBL28891159 0.83 CDK1 (0.49) CDK1CDK2CYP19A1TNFMAOA
SCHEMBL28169734 0.76 ALDH1A1 (0.41) MAOAADORA2AADORA1KDM4ELMNA
SCHEMBL28042398 0.75 CDK1 (0.54) CDK1CDK2CYP19A1TNFMAOA
SCHEMBL4668953 0.74 MAOA (0.56) MAOADRD3KDM4ELMNAMAPK8
SCHEMBL22039054 0.74 SMN1; SMN2 (0.43) CDK1CDK2TNFNOTUMADORA2A
SCHEMBL313560 0.74 MAOA (0.46) MAOADRD2ADORA2AADORA1KDM4E
SCHEMBL29608707 0.73 MAOA (0.44) MAOADRD2ADORA2AADORA1MAPK1
SCHEMBL28218929 0.73 MAOA (0.42) MAOAKDM4ELMNATDP1MAPK8
SCHEMBL13203237 0.71 NOTUM (0.61) CDK1CDK2TNFNOTUMPIK3CD
SCHEMBL1947214 0.71 NOTUM (0.61) CDK1CDK2TNFNOTUMPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845534-B Preparation method and application of high-manganese acid radical luminescent crystal material for extremely sensitive aqueous phase detection 江南大学 2022-10-18 — — CN claimed
CN-113845534-A Preparation method and application of luminescent crystal material for detecting high manganese acid radical in extremely sensitive water phase 江南大学 2021-12-28 — — CN claimed
CN-113480472-A Preparation method of 9, 10-bis (di (pyridine-4-yl) methylene) -9, 10-dihydroanthracene 江南大学 2021-10-08 — — CN claimed
CN-113845534-B Preparation method and application of high-manganese acid radical luminescent crystal material for extremely sensitive aqueous phase detection 江南大学 2022-10-18 — — CN disclosed
CN-113845534-A Preparation method and application of luminescent crystal material for detecting high manganese acid radical in extremely sensitive water phase 江南大学 2021-12-28 — — CN disclosed
CN-113480472-A Preparation method of 9, 10-bis (di (pyridine-4-yl) methylene) -9, 10-dihydroanthracene 江南大学 2021-10-08 — — CN disclosed
Send feedback