SCHEMBL7320114

SCHEMBL7320114

O=C(O)c1cccnc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
KMO O15229 2/20 0.51
CCR2 P41597 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK8 P45983 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PDE10A Q9Y233 2/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
KCNH2 Q12809 1/20 0.45
ADRB3 P13945 1/20 0.44

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
SCHEMBL2336921 0.88 RAB9A (0.54) RAB9ATDP1LMNASMN1; SMN2MAPK8
SCHEMBL7368546 0.87 RAB9A (0.50) RAB9ACCR2TDP1LMNASMN1; SMN2
SCHEMBL10976046 0.85 TDP1 (0.67) RAB9ACCR2TDP1MAPK8ALDH1A1
SCHEMBL10967902 0.84 SCN9A (0.48) RAB9ATDP1MAPK8PDE10A
SCHEMBL2779334 0.84 RAB9A (0.76) RAB9ATDP1LMNASMN1; SMN2MAPK8
SCHEMBL2332693 0.83 ALDH1A1 (0.61) RAB9ATDP1LMNASMN1; SMN2MAPK8
SCHEMBL2782132 0.81 MAPK8 (0.53) RAB9ATDP1LMNAMAPK8ALDH1A1
SCHEMBL6460814 0.80 CARM1 (0.52) RAB9ATDP1MAPK8ALDH1A1PDE10A
SCHEMBL7431657 0.80 CCR2 (0.50) RAB9ACCR2TDP1LMNASMN1; SMN2
SCHEMBL2781858 0.80 TDP1 (0.52) RAB9ATDP1LMNAMAPK8ALDH1A1

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
EP-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP disclosed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP disclosed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 EP disclosed