SCHEMBL28487302

SCHEMBL28487302

O=CC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
CYP2D6 P10635 3/20 0.56
MAPT P10636 5/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
SIRT1 Q96EB6 9/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT3 Q9NTG7 2/20 0.43
RECQL P46063 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL28494341 0.89 DHODH (0.46) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL28372988 0.84 SIRT1 (0.63) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL28503828 0.84 BRD3 (0.58) MAPTMEN1KMT2AGLAALOX15
SCHEMBL28496009 0.84 ALOX15 (0.67) DHODHMAPTLMNAMAPK1MEN1
SCHEMBL28501204 0.83 AR (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15278258 0.81 MAPT (0.74) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL1880030 0.80 BRD3 (0.61) CYP2D6MAPTMEN1KMT2AGLA
SCHEMBL4143065 0.79 BRD3 (0.64) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL22856853 0.79 DHODH (0.62) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL4022209 0.79 CYP2D6 (0.63) DHODHCYP2D6MAPTKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739371-B Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof 华东师范大学 2020-08-25 CN disclosed