SCHEMBL4768686

SCHEMBL4768686

O=[N+]([O-])c1ccc(CCBr)cc1.O=[N+]([O-])c1ccc(CCS(=O)(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNJ1 P48048 4/20 0.44
KCNH2 Q12809 4/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 3/20 0.43
CA4 P22748 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL2233530 0.92 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL77658 0.85 TSHR (0.64) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL28531315 0.78 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL9259965 0.75 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL31540565 0.75 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL8898338 0.75 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL291237 0.75 TSHR (0.61) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL1425484 0.74 LOXL2 (0.53) TSHRLOXL2CA1CA2CA12
SCHEMBL1169852 0.74 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL879695 0.73 TSHR (0.60) TSHRCA2CYP1A2CYP2C9CYP2C19

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-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed