SCHEMBL7929612

SCHEMBL7929612

CSc1ccc(C[Mg]Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MAOA P21397 1/20 0.45
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8840105 0.78 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL7082101 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL5633593 0.73 IDO1 (0.46) MEN1KMT2ACYP1A2MAPT
SCHEMBL385188 0.73 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL13026656 0.72 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL10996987 0.71 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL83839 0.71 ALDH1A1 (0.58) SLC6A4SLC6A2SLC6A3MAOANOS3
SCHEMBL1977989 0.70 CYP2A6 (0.44) NOS1
SCHEMBL257109 0.70 MEN1 (0.55) SLC6A4SLC6A2SLC6A3MAOAMEN1
Bromide SCHEMBL5449600 0.70 MEN1 (0.47) SLC6A4SLC6A2SLC6A3MAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300346-B1 THERAPY OF PRECANCEROUS LESIONS COMPRISING ADMINISTERING INDENYL HYDROXAMIC ACID DERIVATIVE COMPOUND CELL PATHWAYS, INC. 2001-10-09 US disclosed
US-6071934-A PREVENTING TUMORS OR SLOWING THEIR GROWTH CELL PATHWAYS, INC. (US) 2000-06-06 US disclosed
US-5093356-A Antiallergens, antiasthma, antiinflammatory, cytoprotective MERCK FROSST CANADA, INC. (CA) 1992-03-03 US disclosed
US-4499287-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed
US-4456761-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed
US-4356182-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-10-26 US disclosed
US-4291040-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-09-22 US disclosed