SCHEMBL9780219

SCHEMBL9780219

O=CN1CCCN(S(=O)(=O)c2ccc3c(c2)Cc2cc(Br)ccc2-3)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9780319 0.85 RAB9A (0.57) L3MBTL1PKMALDH1A1RAB9AHTT
Hydrochloric Acid SCHEMBL9780231 0.84 RAB9A (0.60) L3MBTL1PKMALDH1A1RAB9AHTT
SCHEMBL9780225 0.80 HTR2C (0.55) PKMALDH1A1HTR2CHTR2BGAA
SCHEMBL5308780 0.77 ALDH1A1 (0.54) L3MBTL1PKMALDH1A1LMNASMN1; SMN2
Iodide SCHEMBL9780273 0.77 BRD4 (0.42) PKMALDH1A1HTR2CHTR2BGAA
Iodide SCHEMBL9780276 0.77 BRD4 (0.42) PKMALDH1A1HTR2CHTR2BGAA
SCHEMBL16026507 0.73 ATM (0.58) L3MBTL1PKMRAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9780304 0.70 AKR1C3 (0.43) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL2113354 0.69 USP2 (0.69) PKMALDH1A1GAALMNASMN1; SMN2
SCHEMBL5843234 0.69 GAA (0.72) GAASMN1; SMN2MEN1KMT2A

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
US-5030631-A Hypotensive, bronchodilator agents SCHERING CORPORATION (US) 1991-07-09 US claimed
US-5030631-A Hypotensive, bronchodilator agents SCHERING CORPORATION (US) 1991-07-09 US disclosed