SCHEMBL30451639

SCHEMBL30451639

Clc1ccc(N2CCCC2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHKA P35790 1/20 0.46
ALDH1A3 P47895 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL24252459 1.00 ALDH1A1 (0.58) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL30451827 0.83 MAPT (0.56) LMNAHTTMAPK1L3MBTL1MEN1
SCHEMBL24252914 0.83 MAPT (0.56) LMNAHTTMAPK1L3MBTL1MEN1
SCHEMBL6309417 0.81 ALDH1A1 (0.63) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL27128547 0.79 HRH4 (0.44) ALDH1A1LMNAHTTKDM4E
SCHEMBL27128568 0.79 HRH4 (0.44) ALDH1A1LMNAHTTKDM4E
SCHEMBL17542882 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL18375983 0.77 HTR3A (0.45) LMNAHTTKDM4EKMT2ANPSR1
SCHEMBL24628365 0.76 ALDH1A1 (0.58) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL22864690 0.76 MAPT (0.53) ALDH1A1LMNAHTTL3MBTL1MEN1

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