SCHEMBL9055555

SCHEMBL9055555

O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HTR2C P28335 1/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
CYP19A1 P11511 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL8807702 0.89 KMT2A (0.64) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8805985 0.84 TP53 (0.57) KMT2AMEN1ALDH1A1CYP19A1RXFP1
SCHEMBL8416372 0.81 YES1 (0.67) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL24480054 0.80 LMNA (0.52) KMT2AMEN1ALDH1A1HTR2CLMNA
SCHEMBL8805573 0.80 HTR2C (0.71) GAAALDH1A1HTR2CLMNAKDM4E
SCHEMBL9056948 0.78 POLB (0.53) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL24479862 0.78 MAPT (0.52) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL1233547 0.78 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7552365 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNARXFP1
SCHEMBL1233342 0.76 HDAC1 (0.62) KMT2AMEN1ALDH1A1LMNARXFP1

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