SCHEMBL8416381

SCHEMBL8416381

CC(=Cc1cn(C)c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
ALDH1A1 P00352 5/20 0.64
GAA P10253 3/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 3/20 0.60
IMPDH2 P12268 1/20 0.55
MAPT P10636 7/20 0.49
FBP1 P09467 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 2/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL8416379 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL27683596 0.84 MAPT (0.48) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL797091 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL797092 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL807793 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL19250089 0.81 MEN1 (0.64) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL8986535 0.78 KDM4E (0.45) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL8758334 0.78 KDM4E (0.45) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL31236293 0.77 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL28732117 0.77 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1GAAHPGD

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
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
EP-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed