SCHEMBL11200342

SCHEMBL11200342

CC(CN1CCCCC1)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43

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
SCHEMBL11141005 0.88 LMNA (0.50) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
Hydrochloric Acid SCHEMBL11143620 0.87 LMNA (0.49) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
SCHEMBL4060240 0.85 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KDM4EGFER
Hydrochloric Acid SCHEMBL11139189 0.83 KMT2A (0.43) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
SCHEMBL11144985 0.81 MBTD1 (0.44) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
SCHEMBL6202414 0.81 SMN1; SMN2 (0.50) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
SCHEMBL7792404 0.80 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EGFERL3MBTL1
SCHEMBL27625173 0.79 SMN1; SMN2 (0.43) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA
SCHEMBL11187062 0.79 SLC18A3 (0.44) SMN1; SMN2MBTD1L3MBTL3LMNAALDH1A1
SCHEMBL28163310 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MBTD1L3MBTL3LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4417052-A ANTIINFLAMMATORY AGENTS; ANALGESICS; VIRICIDES STERLING DRUG INC. (US) 1983-11-22 US disclosed
US-4308382-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1981-12-29 US disclosed
US-4216326-A Intermediates for preparing anti-inflammatory phenyl-lower-alkylamines STERLING DRUG INC. (US) 1980-08-05 US disclosed