SCHEMBL9320348

SCHEMBL9320348

NCCNc1ccc(Cc2ccc(NCCN)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ IDO1 P14902 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PRSS1 P07477 3/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ APP P05067 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TMPRSS6 Q8IU80 1/20 0.35

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
SCHEMBL13876474 0.86 MAPT (0.43) MAPTALDH1A1IDO1GAAPRSS1
SCHEMBL10810619 0.82 TAAR1 (0.52) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL459767 0.78 APP (0.55) MAPTALDH1A1CYP3A4HTTIDO1
SCHEMBL3005414 0.78 TAAR1 (0.46) MAPTALDH1A1IDO1GAAL3MBTL1
SCHEMBL14004749 0.77 EPHX1 (0.41) MAPTALDH1A1TSHRLMNAHPGD
Bromide SCHEMBL11699530 0.76 APP (0.53) MAPTALDH1A1CYP3A4HTTIDO1
SCHEMBL423456 0.76 ADRA2A (0.43) MAPTALDH1A1TDP1LMNAHPGD
Hydrochloric Acid SCHEMBL3027696 0.76 TAAR1 (0.44) MAPTALDH1A1IDO1PRSS1
SCHEMBL8518743 0.76 MAPT (0.41) MAPTALDH1A1IDO1GAAPRSS1
SCHEMBL2495326 0.76 HPGD (0.47) MAPTALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 — — EP disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 — — EP disclosed
US-4381401-A Aminoethylation process THE DOW CHEMICAL COMPANY (US) 1983-04-26 — — US disclosed
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