SCHEMBL7258236

SCHEMBL7258236

CSc1ccc(N(C)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NOX1 Q9Y5S8 1/20 0.44
SLC6A4 P31645 8/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
MAOA P21397 1/20 0.39
EGFR P00533 2/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 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
SCHEMBL77289 0.79 NOX1 (0.62) NOX1SLC6A4ALDH1A1MAPT
SCHEMBL83839 0.74 ALDH1A1 (0.58) SLC6A4NOS3NOS1ALDH1A1SLC6A2
SCHEMBL7262408 0.73 GRIN2D (0.47) MAPT
SCHEMBL27469821 0.73 ALDH1A1 (0.48) NOX1SLC6A4NOS3NOS1ALDH1A1
SCHEMBL21738725 0.72 NOX1 (0.46) NOX1SLC6A4NOS3NOS1ALDH1A1
SCHEMBL15039254 0.72 NOX1 (0.46) NOX1SLC6A4NOS3NOS1ALDH1A1
SCHEMBL17913050 0.72 NOS3 (0.42) NOX1SLC6A4NOS3NOS1ALDH1A1
SCHEMBL25059094 0.71 EGFR (0.54) NOX1SLC6A4ALDH1A1SLC6A2SLC6A3
SCHEMBL18540820 0.71 NOX1 (0.42) NOX1SLC6A4NOS3NOS1ALDH1A1
SCHEMBL18158217 0.71 SLC6A4 (0.47) NOX1SLC6A4ALDH1A1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed