SCHEMBL7978856

SCHEMBL7978856

O=[N+]([O-])c1ccc(CNCc2ccccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ CHRM2 P08172 1/20 0.53
▸ PTPRF P10586 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RECQL P46063 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
SCHEMBL3423082 0.82 L3MBTL1 (0.51) KMT2AMEN1CHRM2PTPRFPTPN2
SCHEMBL1041853 0.82 MEN1 (0.69) KMT2AMEN1CHRM2PTPRFPTPN2
SCHEMBL628651 0.82 CHRM2 (0.72) KMT2AMEN1CHRM2PTPRFPTPN2
SCHEMBL17294506 0.78 KMT2A (0.61) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL18610468 0.77 PTPRF (0.62) KMT2AMEN1PTPRFPTPN2PTPN1
SCHEMBL29258367 0.77 CYP19A1 (0.59) KMT2AMEN1CA1CA2MAPT
SCHEMBL6071681 0.76 MPO (0.60) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL15417018 0.76 KMT2A (0.50) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL8228985 0.76 THRB (0.51) KMT2AMEN1CHRM2CA1CA2
SCHEMBL7246350 0.76 MAOB (0.54) KMT2AMEN1CA1CA2ALDH1A1

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-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 — — US disclosed
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