SCHEMBL11224973

SCHEMBL11224973

O=C(O)Nc1nc2ccccc2n1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.44
ASAH1 Q13510 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 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
SCHEMBL9267030 0.87 RAB9A (0.49) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL10551819 0.87 SMN1; SMN2 (0.49) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL11177029 0.84 TSHR (0.64) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL26619060 0.84 TSHR (0.51) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL14638779 0.83 KMT2A (0.67) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL11826645 0.83 TSHR (0.56) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL3771751 0.81 RAB9A (0.74) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL2461861 0.80 RAB9A (0.53) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL11832226 0.80 ALDH1A1 (0.50) RAB9ANPC1KDM4ETDP1NPSR1
SCHEMBL6302571 0.80 TSHR (0.50) RAB9ANPC1KDM4ETDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316911-A Ureidosulfenyl carbamate nematicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-23 US disclosed
US-3997553-A 2-Benzimidazolecarbamic acid esters by the cyanamide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 US disclosed
US-3997553-A 2-Benzimidazolecarbamic acid esters by the cyanamide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 US disclosed