SCHEMBL11540798

SCHEMBL11540798

O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2cc(Cl)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 4/20 0.48
RAD52 P43351 1/20 0.46
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDGFRB P09619 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
DHFR P00374 1/20 0.44
NPY2R P49146 1/20 0.43

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
SCHEMBL11542581 0.91 MAPKAPK2 (0.49) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11545991 0.89 NAMPT (0.61) KDM4EMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL28845646 0.89 RAD52 (0.56) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11542771 0.88 NAMPT (0.48) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11544867 0.88 NAMPT (0.62) MAPTMAPKAPK2MEN1KMT2ANAMPT
SCHEMBL11543456 0.87 NAMPT (0.46) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11544535 0.87 NAMPT (0.46) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11542080 0.87 NAMPT (0.46) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11543979 0.86 NAMPT (0.45) MAPTKDM4ENPSR1MAPKAPK2MEN1
SCHEMBL11542231 0.86 SLC6A7 (0.60) KDM4EMAPKAPK2NAMPTCYP2C9PDGFRB

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
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed