SCHEMBL18543166

SCHEMBL18543166

Brc1ccccc1-c1cocn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HDAC4 P56524 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30607676 1.00 SCN9A (0.44) SCN9AIDO1LMNAHSD17B10ALDH1A1
SCHEMBL26259970 0.77 SCN9A (0.47) SCN9AHSD17B10ALDH1A1MAPK1HDAC4
SCHEMBL26259957 0.77 SCN9A (0.44) SCN9AHDAC4CASP6EDNRBEDNRA
SCHEMBL5650569 0.76 SCN9A (0.44) SCN9AIDO1LMNAHSD17B10ALDH1A1
SCHEMBL741523 0.76 IDO1 (0.44) SCN9AIDO1LMNAALDH1A1MAOB
SCHEMBL6205082 0.76 SCN9A (0.47) SCN9AIDO1MAPK1RAB9ASMN1; SMN2
SCHEMBL21054847 0.76 ALDH1A1 (0.46) SCN9AIDO1HSD17B10ALDH1A1HDAC4
SCHEMBL16151990 0.76 SCN9A (0.44) SCN9AIDO1LMNAHSD17B10ALDH1A1
SCHEMBL19138133 0.74 IMPDH2 (0.34) SCN9ALMNAHSD17B10ALDH1A1MAPT
SCHEMBL19584693 0.74 F2RL1 (0.48) SCN9ARAB9ANPC1CASP6

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-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed
EP-2855419-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed