SCHEMBL8980401

SCHEMBL8980401

COc1cccc(-c2cc(=O)c3cc(N)ccc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
HPGD P15428 5/20 0.66
KDM4E B2RXH2 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 1/20 0.66
MAPK1 P28482 1/20 0.66
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65
TUBA1B P68363 1/20 0.65
TUBA4A P68366 1/20 0.65
TUBB4B P68371 1/20 0.65
TUBB3 Q13509 1/20 0.65
TUBB2A Q13885 1/20 0.65
TUBB8 Q3ZCM7 1/20 0.65
TUBA3E Q6PEY2 1/20 0.65
TUBA1A Q71U36 1/20 0.65
TUBA1C Q9BQE3 1/20 0.65
TUBB6 Q9BUF5 1/20 0.65
TUBB2B Q9BVA1 1/20 0.65

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
SCHEMBL31237652 0.89 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL6295684 0.85 ALDH1A1 (0.81) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL8980413 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL30462987 0.84 HPGD (0.74) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL31238239 0.82 HPGD (0.70) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL8980334 0.82 HPGD (0.70) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL25910923 0.81 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL8980204 0.81 PDE10A (0.73) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL2799908 0.81 HPGD (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL8980201 0.80 PDE10A (0.72) ALDH1A1HPGDKDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed