SCHEMBL21362647

SCHEMBL21362647

CCc1cc(F)ccc1C(O)c1ccc(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.40
APLNR P35414 1/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL20157942 0.84 L3MBTL1 (0.35) APLNRMAPTL3MBTL1HPGDTDP1
SCHEMBL21362759 0.81 LMNA (0.43) APLNRMAPTL3MBTL1HPGDTDP1
SCHEMBL21352139 0.80 MAPT (0.40) APLNRMAPTL3MBTL1HPGDTDP1
SCHEMBL20157925 0.79 ALDH1A1 (0.36) APLNRMAPTALDH1A1LMNASLC6A2
SCHEMBL21362648 0.77 ACHE (0.39) TDP1ALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL21550045 0.77 DPP4 (0.35) APLNRMAPTLMNANPSR1RAB9A
SCHEMBL30910896 0.75 F2RL1 (0.45) F2RL1MAPTALDH1A1LMNATHRB
SCHEMBL21831133 0.75 F2RL1 (0.45) F2RL1MAPTALDH1A1LMNATHRB
SCHEMBL30133776 0.73 F2RL1 (0.41) F2RL1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL21550255 0.73 TRPA1 (0.33) L3MBTL1LMNARAB9ASLC6A2NPC1

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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed