SCHEMBL9811596

SCHEMBL9811596

COc1ccc(C(=O)C=Cc2ccc(Br)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.59
MAOA P21397 3/20 0.59
F3 P13726 2/20 0.59
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TNFRSF1A P19438 2/20 0.55
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
CYP1B1 Q16678 1/20 0.55
XDH P47989 2/20 0.54
P4HB P07237 1/20 0.54
CALM1 P0DP23 1/20 0.54
RAB9A P51151 1/20 0.54
KRAS P01116 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
BCHE P06276 1/20 0.51

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
SCHEMBL3049846 0.81 BCHE (0.54) MAPTALDH1A1MEN1KMT2ACYP1B1
SCHEMBL3049844 0.81 BCHE (0.54) MAPTALDH1A1MEN1KMT2ACYP1B1
SCHEMBL3048661 0.80 MAPT (0.59) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL3048659 0.80 MAPT (0.59) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL3042937 0.80 MAPT (0.43) MAPTALDH1A1MEN1KMT2ACYP1B1
SCHEMBL3042935 0.80 MAPT (0.43) MAPTALDH1A1MEN1KMT2ACYP1B1
SCHEMBL19003274 0.80 MMP1 (0.58) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3050597 0.76 MAPT (0.61) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL3050601 0.76 MAPT (0.61) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7000261 0.76 F3 (0.75) MAOBMAOAF3MAPTALDH1A1

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
JP-3112982-A None JP disclosed
JP-H03112982-A BENZALACETOPHENONE AND NONLINEAR OPTICAL MATERIAL NIPPON OIL & FATS CO LTD 1991-05-14 JP disclosed