SCHEMBL9054468

SCHEMBL9054468

O=C(CCCc1c[nH]c2ccccc12)Nc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
KMT2A Q03164 8/20 0.68
MEN1 O00255 5/20 0.68
LMNA P02545 1/20 0.68
MAPK1 P28482 1/20 0.68
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.60
HDAC1 Q13547 1/20 0.57
IDE P14735 1/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 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
SCHEMBL12782281 0.88 MAPT (0.61) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL27335572 0.85 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL11195043 0.85 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL38665415 0.85 MAPT (0.78) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL28374001 0.85 GLA (0.62) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL17064276 0.83 MAPT (0.75) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL30150728 0.83 MAPT (0.75) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL12782515 0.82 KMT2A (0.60) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL31447965 0.82 MAPT (0.70) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL12845374 0.81 HRH3 (0.60) MAPTKMT2AMEN1LMNAALDH1A1

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
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