SCHEMBL30451996

SCHEMBL30451996

C=C(C)COc1ccc(Cl)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
HTR2B P41595 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
GAA P10253 1/20 0.51
NR2F2 P24468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1006487 1.00 NPC1 (0.52) NPC1ALDH1A1LMNARAB9AMAPT
SCHEMBL22591956 0.83 TDP1 (0.62) ALDH1A1LMNAMAPTHTR2BHTR2A
SCHEMBL5752867 0.81 SMN1; SMN2 (0.54) NPC1ALDH1A1LMNARAB9AMAPT
SCHEMBL14785169 0.81 HTR2B (0.52) ALDH1A1MAPTHTR2BHTR2AHTR2C
SCHEMBL28542896 0.80 HTR2B (0.51) ALDH1A1MAPTHTR2BHTR2AHTR2C
SCHEMBL4232630 0.80 HTR2B (0.51) NPC1ALDH1A1RAB9AHTR2BHTR2A
SCHEMBL16005094 0.80 PKM (0.64) NPC1ALDH1A1LMNARAB9AMAPT
SCHEMBL14785507 0.79 MAPT (0.65) NPC1ALDH1A1LMNAMAPTHTR2B
SCHEMBL19498479 0.78 PTGDR2 (0.51) NPC1LMNAMAPTHTR2BHTR2A
SCHEMBL1369311 0.78 TDP1 (0.70) NPC1ALDH1A1LMNARAB9AMAPT

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed