SCHEMBL27962962

SCHEMBL27962962

Nc1ccc2nccnc2c1C1=NCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 5/20 0.43
▸ ADRA2B P18089 5/20 0.43
▸ ADRA2C P18825 5/20 0.43
▸ ADRA1D P25100 5/20 0.43
▸ ADRA1A P35348 5/20 0.43
▸ ADRA1B P35368 5/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL5827257 0.73 NISCH (0.53) NISCH
SCHEMBL5828216 0.70 NISCH (0.49) ADRA1ALMNANISCHRECQL
SCHEMBL29553211 0.67 MAPT (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12814059 0.67 MAPT (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1143063 0.66 NISCH (0.57) LMNANISCHRECQL
Hydrochloric Acid SCHEMBL6365863 0.65 LMNA (0.56) LMNANISCHRECQL
SCHEMBL22025603 0.64 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1670294 0.64 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL180196 0.64 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL80782 0.63 NISCH (0.62) NISCH

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
CN-102239411-B Methods for the classification and diagnosis of scoliosis by using GI protein receptor CHU SAINTE JUSTINE 2014-04-16 — — CN claimed
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