SCHEMBL8980334

SCHEMBL8980334

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
MAPT P10636 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62
TUBA3E Q6PEY2 1/20 0.62
TUBA1A Q71U36 1/20 0.62

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
SCHEMBL31238239 1.00 HPGD (0.70) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL31238209 0.91 HPGD (0.72) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL31237652 0.87 ALDH1A1 (0.82) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL339145 0.83 HPGD (0.52) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL8980413 0.82 ALDH1A1 (0.70) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL6295684 0.82 ALDH1A1 (0.81) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL8980401 0.82 ALDH1A1 (0.66) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL339976 0.82 HPGD (0.53) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL30462987 0.82 HPGD (0.74) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL25910923 0.80 ALDH1A1 (0.74) HPGDMAPTMEN1KMT2AALDH1A1

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