SCHEMBL11064115

SCHEMBL11064115

NC1=NN(c2ccc(F)cc2)C(c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
ATM Q13315 7/20 0.58
MAPT P10636 7/20 0.58
GAA P10253 6/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 6/20 0.58
GLA P06280 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
L3MBTL1 Q9Y468 7/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 2/20 0.53
HSP90AA1 P07900 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL11068412 0.89 MEN1 (0.54) MEN1KMT2AATMMAPTGAA
SCHEMBL11060046 0.85 PRKCZ (0.51) MEN1KMT2AATMMAPTGAA
SCHEMBL908494 0.84 CA1 (0.56) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL11095289 0.84 PRKCZ (0.52) MEN1KMT2AATMMAPTGAA
SCHEMBL9203820 0.81 PRKCZ (0.48) MEN1KMT2AATMMAPTGAA
SCHEMBL11101684 0.81 ALDH1A1 (0.65) MEN1KMT2AATMMAPTGAA
SCHEMBL11102158 0.81 L3MBTL1 (0.69) MEN1KMT2AGLAL3MBTL1NR3C2
SCHEMBL908328 0.80 LMNA (0.40) MEN1KMT2AATMMAPTGAA
SCHEMBL908010 0.79 GAA (0.46) MEN1KMT2AATMMAPTGAA
SCHEMBL11100525 0.78 PDE5A (0.53) MEN1KMT2AMAPTGAAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US claimed
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US disclosed
US-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed