SCHEMBL5623929

SCHEMBL5623929

[c]1noc(-c2ncc[nH]2)c1-c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
F2RL1 P55085 1/20 0.33
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PDPK1 O15530 1/20 0.30
MTOR P42345 1/20 0.30
ADK P55263 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL63377 0.74 METAP1 (0.43) ADORA2AADORA1F2RL1ADRA1DADRA1A
SCHEMBL8603493 0.65 F2RL1 (0.48) ADORA2AADORA1F2RL1ADRA1DADRA1A
SCHEMBL7451095 0.64 SMPD3 (0.40) ADORA2AADORA1PDPK1
SCHEMBL81650 0.59 NISCH (0.59) MEN1ALDH1A1KMT2AMTORADK
SCHEMBL102331 0.59 PDPK1 (0.59) ADORA2AADORA1ALDH1A1PDPK1METAP1
SCHEMBL28361849 0.57 PDPK1 (0.40) ADORA2AADORA1PDPK1METAP1
SCHEMBL14690672 0.57 PDPK1 (0.39) ADORA2AADORA1ALDH1A1PDPK1METAP1
SCHEMBL11655 0.57 NISCH (0.48) MEN1ALDH1A1KMT2AMTORADK
SCHEMBL5524325 0.57 NISCH (0.39) MEN1ALDH1A1KMT2AMTORADK
Hydrochloric Acid SCHEMBL1536214 0.57 NISCH (0.56) MEN1ALDH1A1KMT2AMTORADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed