SCHEMBL28530692

SCHEMBL28530692

COc1ccc2c(c1)c(C=O)cn2Cc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 1/20 0.60
BCHE P06276 8/20 0.55
ACHE P22303 6/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28525489 0.91 ALDH1A1 (0.53) ABCC2BCHEACHEALDH1A1LMNA
SCHEMBL9584018 0.87 PLA2G2A (0.61) BCHEACHEALDH1A1LMNA
SCHEMBL28528011 0.87 ALDH1A1 (0.57) ABCC2BCHEALDH1A1LMNASMN1; SMN2
SCHEMBL28477087 0.86 BCHE (0.55) BCHEACHEALDH1A1LMNASMN1; SMN2
SCHEMBL28539366 0.86 ALDH1A1 (0.54) ABCC2BCHEALDH1A1LMNASMN1; SMN2
SCHEMBL28238269 0.82 ALDH1A1 (0.72) ABCC2ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28536514 0.81 BCHE (0.50) BCHEACHE
SCHEMBL9733117 0.81 ALDH1A1 (0.67) ABCC2BCHEALDH1A1LMNASMN1; SMN2
SCHEMBL12628346 0.81 BCHE (0.56) BCHEACHEALDH1A1LMNASMN1; SMN2
SCHEMBL28524187 0.80 LTB4R (0.57) BCHEACHEALDH1A1LMNA

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-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed