SCHEMBL8807702

SCHEMBL8807702

O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 3/20 0.59
CYP19A1 P11511 2/20 0.55
YES1 P07947 1/20 0.54
KDR P35968 1/20 0.54
JAK3 P52333 1/20 0.54
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
RXFP1 Q9HBX9 2/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.50
NPY5R Q15761 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9055555 0.89 GAA (0.65) KMT2AMEN1ALDH1A1CYP19A1RXFP1
SCHEMBL8416372 0.88 YES1 (0.67) KMT2AMEN1ALDH1A1CYP19A1YES1
SCHEMBL8805985 0.86 TP53 (0.57) KMT2AMEN1ALDH1A1CYP19A1RXFP1
SCHEMBL9056948 0.81 POLB (0.53) KMT2AMEN1ALDH1A1CYP19A1YES1
SCHEMBL9054761 0.80 YES1 (0.83) KMT2AMEN1ALDH1A1CYP19A1YES1
SCHEMBL1233547 0.80 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1CYP19A1RXFP1
SCHEMBL7552365 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1RXFP1POLB
SCHEMBL8804260 0.79 YES1 (0.69) KMT2AMEN1ALDH1A1CYP19A1YES1
SCHEMBL8805799 0.79 YES1 (0.74) KMT2AMEN1ALDH1A1CYP19A1YES1
SCHEMBL1233342 0.79 HDAC1 (0.62) KMT2AMEN1ALDH1A1RXFP1LMNA

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
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