SCHEMBL7701180

SCHEMBL7701180

O=C1C(=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.79
ALDH1A1 P00352 6/20 0.79
LMNA P02545 2/20 0.79
HPGD P15428 1/20 0.79
MIF P14174 3/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
NPC1 O15118 3/20 0.57
HSP90AA1 P07900 2/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ATM Q13315 1/20 0.57
STK17B O94768 1/20 0.56

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
SCHEMBL7701179 1.00 MAPT (0.79) MAPTALDH1A1LMNAHPGDMIF
SCHEMBL8547623 0.88 MAPT (1.00) MAPTALDH1A1LMNAHPGDMIF
SCHEMBL8547627 0.88 MAPT (1.00) MAPTALDH1A1LMNAHPGDMIF
SCHEMBL7000852 0.85 MAPT (0.78) MAPTALDH1A1LMNAHPGDMIF
SCHEMBL7000855 0.85 MAPT (0.78) MAPTALDH1A1LMNAHPGDMIF
SCHEMBL31358690 0.79 MAPT (0.58) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2981650 0.78 MAOB (1.00) MAPTALDH1A1MIFMAOAMAOB
SCHEMBL3694617 0.78 MAOB (1.00) MAPTALDH1A1MIFMAOAMAOB
SCHEMBL30462577 0.78 MAOB (1.00) MAPTALDH1A1MIFMAOAMAOB
SCHEMBL30977980 0.78 MAOB (1.00) MAPTALDH1A1MIFMAOAMAOB

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-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed