SCHEMBL28198631

SCHEMBL28198631

C=CCc1c(Br)ccc2c1[nH]c1cc(Br)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.52
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
PIM3 Q86V86 3/20 0.45
AR P10275 2/20 0.36
PIM1 P11309 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
EIF2AK2 P19525 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CAMK2B Q13554 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
SCHEMBL29122856 0.80 PIM3 (0.44) CHRNA7CHRNB2CHRNA4PIM3AR
SCHEMBL29655502 0.74 PIM3 (0.50) PIM3ARPIM1CCNT1CCNB2
SCHEMBL28636260 0.74 PIM3 (0.50) PIM3ARPIM1CCNT1CCNB2
SCHEMBL28295790 0.73 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4PIM3AR
SCHEMBL27992685 0.73 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4PIM3AR
SCHEMBL28004551 0.73 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4PIM3AR
SCHEMBL27935736 0.71 PIM3 (0.48) PIM3ARPIM1CCNT1CCNB2
SCHEMBL16534743 0.71 PIM3 (0.48) PIM3ARPIM1CCNT1CCNB2
SCHEMBL4422677 0.70 AHR (0.38) PIM3PIM1ALDH1A1KMT2AHSD17B10
SCHEMBL29755083 0.69 AR (0.51) PIM3ARPIM1CCNT1CCNB2

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
CN-105713187-B A kind of adamantane modified polycarbazole high-molecular luminous material and preparation method thereof 广东工业大学 2018-01-23 CN claimed
CN-105713187-B A kind of adamantane modified polycarbazole high-molecular luminous material and preparation method thereof 广东工业大学 2018-01-23 CN disclosed